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CAS 595-15-3 SOYASAPOGENOL B(P) molecular structure lightbox
CAS RN: 595-15-3

SOYASAPOGENOL B(P)

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2 package records0 with current stock2 grade groups
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Batchno.20250302 5mg Out of stock 30 business days Inquiry
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Batchno.20250524 1mg Out of stock Inquiry
  • Product code: starshine_CAS595-15-3
  • Purity/Analytical Methods: >99.0%
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595-15-3 / (3S,4S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,9-diol

Standard CAS: 595-15-3 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
595-15-3
Multi CAS
Yes
Molecular Formula
C30H50O3
Molecular Weight
458.700000
Exact Mass
458.375995
InChI
InChI=1S/C30H50O3/c1-25(2)16-20-19-8-9-22-27(4)12-11-23(32)28(5,18-31)21(27)10-13-30(22,7)29(19,6)15-14-26(20,3)24(33)17-25/h8,20-24,31-33H,9-18H2,1-7H3/t20-,21+,22+,23-,24+,26+,27-,28+,29+,30+/m0/s1
InChIKey
YOQAQNKGFOLRGT-UXXABWCISA-N

Physical Properties

Melting Point
258 - 259 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
33
Fraction Csp3
0.93
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
3
Molar refractivity
133.52
TPSA
60.69

LogP / Solubility

WLOGP
6.11
MLOGP
5.41
XLogP3
7
Consensus LogP
6.17
Log S (ESOL)
-6.47
Class (ESOL)
Insoluble
Log S (Ali)
-7.73
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.83
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)
-1.18

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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