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[ CAS No. 2497-18-9 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
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Type HazMat fee for 500 gram (Estimated)
Excepted Quantity USD 0.00
Limited Quantity USD 15-60
Inaccessible (Haz class 6.1), Domestic USD 80+
Inaccessible (Haz class 6.1), International USD 150+
Accessible (Haz class 3, 4, 5 or 8), Domestic USD 100+
Accessible (Haz class 3, 4, 5 or 8), International USD 200+
3d Animation Molecule Structure of 2497-18-9
Chemical Structure| 2497-18-9
Chemical Structure| 2497-18-9
Structure of 2497-18-9 * Storage: {[proInfo.prStorage]}
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Product Details of [ 2497-18-9 ]

CAS No. :2497-18-9 MDL No. :MFCD00009474
Formula : C8H14O2 Boiling Point : -
Linear Structure Formula :- InChI Key :HRHOWZHRCRZVCU-AATRIKPKSA-N
M.W :142.20 Pubchem ID :2733294
Synonyms :

Calculated chemistry of [ 2497-18-9 ]

Physicochemical Properties

Num. heavy atoms : 10
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.62
Num. rotatable bonds : 5
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 41.38
TPSA : 26.3 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.77 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.58
Log Po/w (XLOGP3) : 1.97
Log Po/w (WLOGP) : 1.91
Log Po/w (MLOGP) : 1.85
Log Po/w (SILICOS-IT) : 1.74
Consensus Log Po/w : 2.01

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -1.63
Solubility : 3.31 mg/ml ; 0.0233 mol/l
Class : Very soluble
Log S (Ali) : -2.15
Solubility : 1.01 mg/ml ; 0.00712 mol/l
Class : Soluble
Log S (SILICOS-IT) : -1.62
Solubility : 3.4 mg/ml ; 0.0239 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.3

Safety of [ 2497-18-9 ]

Signal Word:Danger Class:3
Precautionary Statements:P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P370+P378-P403+P235-P501 UN#:3272
Hazard Statements:H225-H315-H319 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 2497-18-9 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 2497-18-9 ]

[ 2497-18-9 ] Synthesis Path-Downstream   1~80

  • 3
  • [ 35926-04-6 ]
  • [ 2497-18-9 ]
  • [ 56922-75-9 ]
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  • [ 129499-62-3 ]
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  • [ 201230-82-2 ]
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  • [ 201230-82-2 ]
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  • [ 1666-13-3 ]
  • [ 90036-65-0 ]
  • 9
  • [ 2497-18-9 ]
  • [ 824-79-3 ]
  • 1-[((E)-Hept-3-ene)-1-sulfonyl]-4-methyl-benzene [ No CAS ]
  • 1-((S)-Hept-1-ene-4-sulfonyl)-4-methyl-benzene [ No CAS ]
  • 1-((R)-Hept-1-ene-4-sulfonyl)-4-methyl-benzene [ No CAS ]
  • 10
  • [ 2497-18-9 ]
  • [ 824-79-3 ]
  • [ 90633-60-6 ]
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  • [ 2497-18-9 ]
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  • [ 108-24-7 ]
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  • [ 56922-75-9 ]
  • 18
  • [ 2497-18-9 ]
  • [ 525-06-4 ]
  • 1,1-diphenyl-1,3-heptadiene [ No CAS ]
  • [ 632-51-9 ]
  • 19
  • [ 2497-18-9 ]
  • [ 525-06-4 ]
  • 1,1-diphenyl-1,3-heptadiene [ No CAS ]
  • 22
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  • [ 1889-20-9 ]
  • [ 35648-55-6 ]
  • 23
  • [ 108-05-4 ]
  • [ 928-95-0 ]
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  • 24
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  • [ 131543-46-9 ]
  • [ 4417-81-6 ]
  • [ 5371-49-3 ]
  • [ 75-07-0 ]
  • [ 123-38-6 ]
  • [ 123-72-8 ]
  • 25
  • [ 2497-18-9 ]
  • [ 141-97-9 ]
  • 2-Acetyl-3-vinyl-hexanoic acid ethyl ester [ No CAS ]
  • ethyl 2-acetyl-4-octenoate [ No CAS ]
  • 26
  • [ 2497-18-9 ]
  • [ 105-53-3 ]
  • [ 79930-09-9 ]
  • 2-(1-Vinyl-butyl)-malonic acid diethyl ester [ No CAS ]
  • 27
  • [ 2497-18-9 ]
  • ethyl 2-(bromozincato)prop-2-enoate [ No CAS ]
  • (E)-2-Methylene-oct-4-enoic acid ethyl ester [ No CAS ]
  • 28
  • [ 2497-18-9 ]
  • propyl 2-(bromozincato)prop-2-enoate [ No CAS ]
  • 2-Cyclohex-2-enyl-acrylic acid propyl ester [ No CAS ]
  • 29
  • [ 2497-18-9 ]
  • [ 96-32-2 ]
  • [ 81586-83-6 ]
  • [ 210644-34-1 ]
  • 30
  • [ 928-95-0 ]
  • [ 19689-92-0 ]
  • [ 2497-18-9 ]
  • 31
  • [ 2497-18-9 ]
  • (S)-2-Trimethylsilanyloxymethyl-pyrrolidine [ No CAS ]
  • [ 211762-87-7 ]
  • 32
  • [ 2497-18-9 ]
  • [ 141-97-9 ]
  • 2-Acetyl-3-vinyl-hexanoic acid ethyl ester [ No CAS ]
  • ethyl 2-acetyl-4-octenoate [ No CAS ]
  • (Z)-2-Acetyl-oct-4-enoic acid ethyl ester [ No CAS ]
  • 33
  • [ 2497-18-9 ]
  • [ 609-08-5 ]
  • 2-Methyl-2-(1-vinyl-butyl)-malonic acid diethyl ester [ No CAS ]
  • 2-((Z)-Hex-2-enyl)-2-methyl-malonic acid diethyl ester [ No CAS ]
  • 2-((E)-Hex-2-enyl)-2-methyl-malonic acid diethyl ester [ No CAS ]
  • 34
  • [ 2497-18-9 ]
  • [ 108-59-8 ]
  • [ 81586-82-5 ]
  • [ 77517-66-9 ]
  • (Z)-2-hex-2-enyl-malonic acid dimethyl ester [ No CAS ]
  • 35
  • [ 2497-18-9 ]
  • [ 105-53-3 ]
  • [ 79930-09-9 ]
  • 2-(1-Vinyl-butyl)-malonic acid diethyl ester [ No CAS ]
  • ((Z)-2-Hex-2-enyl)-malonic acid diethyl ester [ No CAS ]
  • 36
  • [ 928-94-9 ]
  • [ 108-24-7 ]
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  • 37
  • [ 928-95-0 ]
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  • 38
  • [ 2497-18-9 ]
  • [ 98432-01-0 ]
  • [ 223561-07-7 ]
  • (E)-(S)-2-Acetyl-2-acetylamino-oct-4-enoic acid methyl ester [ No CAS ]
  • 39
  • [ 2497-18-9 ]
  • [ 19185-44-5 ]
  • (E)-(S)-2-Acetylamino-2-benzoyl-oct-4-enoic acid methyl ester [ No CAS ]
  • (E)-(R)-2-Acetylamino-2-benzoyl-oct-4-enoic acid methyl ester [ No CAS ]
  • 40
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  • [ 98-80-6 ]
  • [ 78633-32-6 ]
  • [ 78633-31-5 ]
  • 42
  • [ 498-66-8 ]
  • [ 2497-18-9 ]
  • (1S,2R,3S,5S,6R)-((E)-3-But-1-enyl)-tricyclo[4.2.1.02,5]nonane [ No CAS ]
  • 43
  • [ 2497-18-9 ]
  • [ 6742-26-3 ]
  • 2-((E)-Hex-2-enyl)-1-oxo-1,2,3,4-tetrahydro-naphthalene-2-carboxylic acid ethyl ester [ No CAS ]
  • 44
  • [ 123-75-1 ]
  • [ 2497-18-9 ]
  • N-(1-propyl-2-propenyl)pyrrolidine [ No CAS ]
  • E-1-(2-hexenyl)pyrrolidine [ No CAS ]
  • 45
  • [ 110-91-8 ]
  • [ 2497-18-9 ]
  • 3-(1-hexenyl)morpholine [ No CAS ]
  • [ 84395-62-0 ]
  • 46
  • [ 110-91-8 ]
  • [ 2497-18-9 ]
  • [ 84395-62-0 ]
  • 48
  • [ 2497-18-9 ]
  • [ 18424-77-6 ]
  • 2-Methyl-2-(1-vinyl-butyl)-malonic acid diethyl ester [ No CAS ]
  • 2-((Z)-Hex-2-enyl)-2-methyl-malonic acid diethyl ester [ No CAS ]
  • 2-((E)-Hex-2-enyl)-2-methyl-malonic acid diethyl ester [ No CAS ]
  • 49
  • [ 2497-18-9 ]
  • [ 108-91-8 ]
  • Cyclohexyl-((E)-hex-2-enyl)-amine [ No CAS ]
  • Cyclohexyl-bis-((E)-hex-2-enyl)-amine [ No CAS ]
  • 50
  • [ 2497-18-9 ]
  • [ 142-84-7 ]
  • ((E)-Hex-2-enyl)-dipropyl-amine [ No CAS ]
  • 51
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  • [ 109-89-7 ]
  • [ 103896-64-6 ]
  • 52
  • [ 2497-18-9 ]
  • [ 124-02-7 ]
  • Diallyl-((E)-hex-2-enyl)-amine [ No CAS ]
  • 53
  • [ 68883-76-1 ]
  • [ 2497-18-9 ]
  • [ 26907-85-7 ]
  • (E,E)-6,10-tetradecadiene [ No CAS ]
  • (E,E)-6,10-hexadecadiene [ No CAS ]
  • 54
  • [ 2497-18-9 ]
  • [ 31469-25-7 ]
  • cis-2,2-dimethyl-oct-4-enoic acid [ No CAS ]
  • trans-2,2-dimethyl-oct-4-enoic acid [ No CAS ]
  • 55
  • [ 2497-18-9 ]
  • [ 31469-22-4 ]
  • 2-Methyl-3-vinyl-hexanoic acid [ No CAS ]
  • cis-2-methyl-oct-4-enoic acid [ No CAS ]
  • [ 358366-28-6 ]
  • 56
  • [ 2497-18-9 ]
  • [ 31491-21-1 ]
  • 2-phenyl-3-propyl-pent-4-enoic acid [ No CAS ]
  • cis-2-phenyl-oct-4-enoic acid [ No CAS ]
  • trans-2-phenyl-oct-4-enoic acid [ No CAS ]
  • 57
  • [ 2497-18-9 ]
  • [ 31469-27-9 ]
  • trans-2,2-diphenyl-oct-4-enoic acid [ No CAS ]
  • 58
  • [ 2497-18-9 ]
  • [ 107940-09-0 ]
  • [ 40539-07-9 ]
  • 2-methoxy-3-propyl-pent-4-enoic acid [ No CAS ]
  • cis-2-methoxy-oct-4-enoic acid [ No CAS ]
  • 59
  • [ 2497-18-9 ]
  • [ 107940-16-9 ]
  • 2-phenoxy-3-propyl-pent-4-enoic acid [ No CAS ]
  • cis-2-phenoxy-oct-4-enoic acid [ No CAS ]
  • trans-2-phenoxy-oct-4-enoic acid [ No CAS ]
  • 60
  • [ 2497-18-9 ]
  • (1-methyl-2,2-bis-trimethylsilanyloxy-vinyloxy)-benzene [ No CAS ]
  • 2-methyl-2-phenoxy-3-propyl-pent-4-enoic acid [ No CAS ]
  • trans-2-methyl-2-phenoxy-oct-4-enoic acid [ No CAS ]
  • 61
  • [ 2497-18-9 ]
  • MgBr(CH2)6OTHP [ No CAS ]
  • [ 42513-42-8 ]
  • 62
  • [ 2497-18-9 ]
  • [ 874-23-7 ]
  • (S)-2-acetyl-2-[(E)-2-hexenyl]cyclohexanone [ No CAS ]
  • (R)-2-acetyl-2-[(E)-2-hexenyl]cyclohexanone [ No CAS ]
  • 63
  • [ 2497-18-9 ]
  • [ 18424-76-5 ]
  • [ 81586-82-5 ]
  • [ 92747-24-5 ]
  • 64
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  • [ 108-59-8 ]
  • [ 81586-82-5 ]
  • [ 92747-23-4 ]
  • [ 92747-24-5 ]
  • 66
  • [ 2497-18-9 ]
  • [ 134-32-7 ]
  • N,N-di(hex-2E-enyl)-1-naphthylamine [ No CAS ]
  • N-(1-propylallyl)-1-naphthylamine [ No CAS ]
  • N-(hex-2E-enyl)-1-naphthylamine [ No CAS ]
  • 67
  • [ 2497-18-9 ]
  • [ 108-59-8 ]
  • [ 81586-82-5 ]
  • [ 92747-24-5 ]
  • 68
  • [ 2497-18-9 ]
  • [ 170943-24-5 ]
  • dimethyl (S)-[1-(N-acetylamino)-1-{(E)-2-hexenyl}-2-oxopropyl]phosphonate [ No CAS ]
  • dimethyl (R)-[1-(N-acetylamino)-1-{(E)-2-hexenyl}-2-oxopropyl]phosphonate [ No CAS ]
  • 69
  • [ 2497-18-9 ]
  • [ 18424-76-5 ]
  • [ 81586-82-5 ]
  • [ 77517-66-9 ]
  • 71
  • [ 2497-18-9 ]
  • (E)-(R)-2-Acetylamino-2-((S)-1-hydroxy-ethyl)-oct-4-enoic acid methyl ester [ No CAS ]
  • 72
  • [ 2497-18-9 ]
  • (E)-(R)-2-Acetylamino-2-((S)-hydroxy-phenyl-methyl)-oct-4-enoic acid methyl ester [ No CAS ]
  • 73
  • [ 2497-18-9 ]
  • [(S)-1-(1-Vinyl-butoxy)-pyrrolidin-2-yl]-methanol [ No CAS ]
  • 74
  • [ 2497-18-9 ]
  • [ 211762-84-4 ]
  • 75
  • [ 928-95-0 ]
  • [ 2497-18-9 ]
  • 76
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  • [ 91230-14-7 ]
  • 77
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  • [ 91230-10-3 ]
  • 78
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  • [ 35926-04-6 ]
  • 79
  • [ 2497-18-9 ]
  • [ 56922-75-9 ]
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