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CAS 25279-15-6 (20S,24R)-12β,25-Dihydroxy-20,24-epoxydammarane-3-one molecular structure lightbox
CAS RN: 25279-15-6

(20S,24R)-12β,25-Dihydroxy-20,24-epoxydammarane-3-one

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250822 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS25279-15-6
  • Purity/Analytical Methods: >99.0%
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25279-15-6 / 12-hydroxy-17-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

Standard CAS: 25279-15-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
25279-15-6
Multi CAS
No
Molecular Formula
C30H50O4
Molecular Weight
474.700000
Exact Mass
474.370910
SMILES
CC1(C2CCC3(C(C2(CCC1=O)C)CC(C4C3(CCC4C5(CCC(O5)C(C)(C)O)C)C)O)C)C
InChI
InChI=1S/C30H50O4/c1-25(2)20-10-15-28(6)21(27(20,5)13-11-22(25)32)17-19(31)24-18(9-14-29(24,28)7)30(8)16-12-23(34-30)26(3,4)33/h18-21,23-24,31,33H,9-17H2,1-8H3
InChIKey
MOCDJPYINJXPKU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Fraction Csp3
0.97
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
134.2
TPSA
66.76

LogP / Solubility

WLOGP
5.92
MLOGP
5.24
XLogP3
5.6
Consensus LogP
5.59
Log S (ESOL)
-6.38
Class (ESOL)
Insoluble
Log S (Ali)
-7.73
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.9
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)
-1.41

Drug-likeness / Medicinal Chemistry

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

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