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[ CAS No. 482-25-7 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 482-25-7
Chemical Structure| 482-25-7
Structure of 482-25-7 * Storage: {[proInfo.prStorage]}
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Product Details of [ 482-25-7 ]

CAS No. :482-25-7 MDL No. :MFCD00468051
Formula : C17H18O7 Boiling Point : -
Linear Structure Formula :- InChI Key :PKRPFNXROFUNDE-LLVKDONJSA-N
M.W : 334.32 Pubchem ID :10211
Synonyms :
Byacangelicin

Calculated chemistry of [ 482-25-7 ]

Physicochemical Properties

Num. heavy atoms : 24
Num. arom. heavy atoms : 13
Fraction Csp3 : 0.35
Num. rotatable bonds : 5
Num. H-bond acceptors : 7.0
Num. H-bond donors : 2.0
Molar Refractivity : 86.83
TPSA : 102.27 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : Yes
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -7.22 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.61
Log Po/w (XLOGP3) : 1.57
Log Po/w (WLOGP) : 2.06
Log Po/w (MLOGP) : 0.29
Log Po/w (SILICOS-IT) : 2.67
Consensus Log Po/w : 1.84

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.97
Solubility : 0.356 mg/ml ; 0.00106 mol/l
Class : Soluble
Log S (Ali) : -3.33
Solubility : 0.157 mg/ml ; 0.00047 mol/l
Class : Soluble
Log S (SILICOS-IT) : -4.47
Solubility : 0.0114 mg/ml ; 0.0000342 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 4.1

Safety of [ 482-25-7 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 482-25-7 ]

* 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 [ 482-25-7 ]

[ 482-25-7 ] Synthesis Path-Downstream   1~14

  • 2
  • [ 482-25-7 ]
  • (4-methoxy-7-oxo-7<i>H</i>-furo[3,2-<i>g</i>]chromen-9-yloxy)-acetic acid [ No CAS ]
  • 5
  • [ 482-25-7 ]
  • 2',3'-dihydrobyakangelicin [ No CAS ]
  • 6
  • [ 482-25-7 ]
  • 2',3',3,4-tetrahydrobyakangelicin [ No CAS ]
  • 7
  • [ 482-25-7 ]
  • (4-methoxy-7-oxo-7<i>H</i>-furo[3,2-<i>g</i>]chromen-9-yloxy)-acetic acid methyl ester [ No CAS ]
  • 8
  • [ 482-25-7 ]
  • 9-(2-hydroxyimino-3-methyl-butoxy)-4-methoxy-furo[3,2-<i>g</i>]chromen-7-one [ No CAS ]
  • 9
  • [ 482-25-7 ]
  • 4-methoxy-9-(3-methyl-2-semicarbazono-butoxy)-furo[3,2-<i>g</i>]chromen-7-one [ No CAS ]
  • 10
  • 2''-O-α-L-rhamnosyl-(+)-byakangelicin [ No CAS ]
  • [ 3615-41-6 ]
  • [ 482-25-7 ]
  • 11
  • 3''-O-α-L-rhamnosyl-(+)-byakangelicin [ No CAS ]
  • [ 3615-41-6 ]
  • [ 482-25-7 ]
  • 12
  • 2'',3''-di-O-α-L-rhamnosyl-(+)-byakangelicin [ No CAS ]
  • [ 3615-41-6 ]
  • [ 482-25-7 ]
  • 13
  • 2'',3''-di-O-β-D-glucopyranosyl-(+)-byakangelicin [ No CAS ]
  • [ 50-99-7 ]
  • [ 482-25-7 ]
  • 14
  • R-(+)-byakangelicin sucrose ether [ No CAS ]
  • [ 57-48-7 ]
  • [ 50-99-7 ]
  • [ 482-25-7 ]
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