CAS RN: 81678-46-8
(23S)-17,23-Epoxy-29-hydroxy-27-nor-5α-lanost-8-ene-3,24-dione
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260603 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS81678-46-8
- Purity/Analytical Methods: >99.0%
81678-46-8 / (3'R,4S,5R,5'S,10S,13S,14S,17S)-4-(hydroxymethyl)-3',4,10,13,14-pentamethyl-5'-propanoylspiro[2,5,6,7,11,12,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-3-one
Basic Information
CAS
81678-46-8
Multi CAS
Yes
Molecular Formula
C29H44O4
Molecular Weight
456.700000
Exact Mass
456.323960
InChI
InChI=1S/C29H44O4/c1-7-21(31)22-16-18(2)29(33-22)15-14-27(5)20-8-9-23-25(3,19(20)10-13-28(27,29)6)12-11-24(32)26(23,4)17-30/h18,22-23,30H,7-17H2,1-6H3/t18-,22+,23-,25-,26-,27+,28+,29+/m1/s1
InChIKey
KHSHJGYTLGFEMC-LBQQCSDXSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Fraction Csp3
0.86
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
128.66
TPSA
63.6
LogP / Solubility
WLOGP
5.8
MLOGP
5.14
XLogP3
4.7
Consensus LogP
5.21
Log S (ESOL)
-6.13
Class (ESOL)
Insoluble
Log S (Ali)
-7.5
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.81
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)
-1.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
8.5
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