CAS RN: 848669-08-9
Stigmasta-4,25-dien-3-one
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.20250821 | 1mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS848669-08-9
- Purity/Analytical Methods: >99.0%
848669-08-9 / (8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylhept-6-en-2-yl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Basic Information
CAS
848669-08-9
Multi CAS
Yes
Molecular Formula
C29H46O
Molecular Weight
410.700000
Exact Mass
410.354866
InChI
InChI=1S/C29H46O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h18,20-21,24-27H,2,7-17H2,1,3-6H3/t20-,21-,24+,25-,26+,27+,28+,29-/m1/s1
InChIKey
IUJSEAGAJKMVBJ-XJZKHKOHSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Fraction Csp3
0.83
Rotatable bonds
6
H-bond acceptors
1
Molar refractivity
127.19
TPSA
17.07
LogP / Solubility
WLOGP
8.15
MLOGP
7.2
XLogP3
9.2
Consensus LogP
8.18
Log S (ESOL)
-7.13
Class (ESOL)
Insoluble
Log S (Ali)
-8.81
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.82
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)
0.56
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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