CAS RN: 638-95-9

alpha-Amyrin

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8 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250619 100mg In stock Shanghai Inquiry
Batchno.20260128 10mg In stock Shanghai Inquiry
Batchno.20251021 1g Out of stock Inquiry
Batchno.20260618 250mg In stock Shanghai Inquiry
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Batchno.20250814 10mg In stock Shanghai Inquiry
Batchno.20250726 5mg In stock Shanghai, Guangdong Inquiry
  • Product code: starshine_CAS638-95-9
  • Purity/Analytical Methods: >99.0%
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638-95-9 / (3S,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-ol

Standard CAS: 638-95-9 Multi CAS: Yes

Basic Information

CAS
638-95-9
Multi CAS
Yes
Molecular Formula
C30H50O
Molecular Weight
426.700000
Exact Mass
426.386166
InChI
InChI=1S/C30H50O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9,19-20,22-25,31H,10-18H2,1-8H3/t19-,20+,22+,23-,24+,25+,27-,28+,29-,30-/m1/s1
InChIKey
FSLPMRQHCOLESF-SFMCKYFRSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Fraction Csp3
0.93
H-bond acceptors
1
H-bond donors
1
Molar refractivity
130.65
TPSA
20.23

LogP / Solubility

WLOGP
8.02
MLOGP
7.09
XLogP3
9
Consensus LogP
8.04
Log S (ESOL)
-7.54
Class (ESOL)
Insoluble
Log S (Ali)
-8.85
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.09
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.37

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
8.5

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