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[ CAS No. 5303-65-1 ] {[proInfo.proName]}

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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+
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Chemical Structure| 5303-65-1
Chemical Structure| 5303-65-1
Structure of 5303-65-1 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 5303-65-1 ]

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Product Details of [ 5303-65-1 ]

CAS No. :5303-65-1 MDL No. :MFCD00008086
Formula : C6H13NO2 Boiling Point : -
Linear Structure Formula :- InChI Key :HHIOOBJZIASBFF-UHFFFAOYSA-N
M.W : 131.17 Pubchem ID :98103
Synonyms :

Calculated chemistry of [ 5303-65-1 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 9
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.83
Num. rotatable bonds : 4
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 34.95
TPSA : 52.32 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -7.16 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.48
Log Po/w (XLOGP3) : -0.09
Log Po/w (WLOGP) : 0.29
Log Po/w (MLOGP) : 0.39
Log Po/w (SILICOS-IT) : 0.17
Consensus Log Po/w : 0.45

Druglikeness

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

Water Solubility

Log S (ESOL) : -0.33
Solubility : 61.0 mg/ml ; 0.465 mol/l
Class : Very soluble
Log S (Ali) : -0.56
Solubility : 36.4 mg/ml ; 0.278 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.81
Solubility : 20.5 mg/ml ; 0.156 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.85

Safety of [ 5303-65-1 ]

Signal Word:Danger Class:3
Precautionary Statements:P210-P302+P352-P305+P351+P338 UN#:3272
Hazard Statements:H225-H315-H319-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 5303-65-1 ]

* 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 [ 5303-65-1 ]

[ 5303-65-1 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 5303-65-1 ]
  • [ 61477-39-2 ]
  • [ 61477-40-5 ]
  • 2
  • ethyl 3-butanamidobutanoate [ No CAS ]
  • [ 3775-72-2 ]
  • [ 3775-73-3 ]
  • [ 1379442-82-6 ]
  • [ 1270112-24-7 ]
  • [ 5303-65-1 ]
  • [ 5303-65-1 ]
  • ethyl (R)-3-butanamidobutanoate [ No CAS ]
  • ethyl (S)-3-butanamidobutanate [ No CAS ]
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