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CAS 93372-87-3 20-Hydroxy-3-oxo-28-lupaic acid molecular structure lightbox
CAS RN: 93372-87-3

20-Hydroxy-3-oxo-28-lupaic acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250319 250mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS93372-87-3
  • Purity/Analytical Methods: >99.0%
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93372-87-3 / (1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bS)-1-(2-hydroxypropan-2-yl)-5a,5b,8,8,11a-pentamethyl-9-oxo-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid

Standard CAS: 93372-87-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
93372-87-3
Multi CAS
Yes
Molecular Formula
C30H48O4
Molecular Weight
472.700000
Exact Mass
472.355260
InChI
InChI=1S/C30H48O4/c1-25(2)20-11-14-29(7)21(27(20,5)13-12-22(25)31)9-8-19-23-18(26(3,4)34)10-15-30(23,24(32)33)17-16-28(19,29)6/h18-21,23,34H,8-17H2,1-7H3,(H,32,33)/t18-,19-,20+,21-,23-,27+,28-,29-,30+/m1/s1
InChIKey
OWUOWYKFORUAIE-PDSAIWMESA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Fraction Csp3
0.93
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
133.1
TPSA
74.6

LogP / Solubility

WLOGP
6.49
MLOGP
5.75
XLogP3
6.4
Consensus LogP
6.21
Log S (ESOL)
-6.73
Class (ESOL)
Insoluble
Log S (Ali)
-8.12
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.36
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)
-0.99

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
8

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