CAS RN: 32507-77-0
ergost-7,22-diene-3-ol
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260521 | 1mg | Out of stock | Inquiry |
- Product code: starshine_CAS32507-77-0
- Purity/Analytical Methods: >99.0%
32507-77-0 / (9R,10S,13R,14R,17R)-17-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-1,2,4,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Basic Information
CAS
32507-77-0
Multi CAS
Yes
Molecular Formula
C28H44O
Molecular Weight
396.600000
Exact Mass
396.339216
InChI
InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-8,10,18-21,24-26H,9,11-17H2,1-6H3/t19-,20+,21?,24+,25-,26-,27-,28+/m0/s1
InChIKey
AHWOEMBXZXGDBQ-AQGSFBQWSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Fraction Csp3
0.82
Rotatable bonds
4
H-bond acceptors
1
Molar refractivity
122.51
TPSA
17.07
LogP / Solubility
WLOGP
7.62
MLOGP
6.73
XLogP3
7.3
Consensus LogP
7.22
Log S (ESOL)
-6.84
Class (ESOL)
Insoluble
Log S (Ali)
-8.31
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.04
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)
0.27
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
7
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