CAS RN: 2034-72-2
Stigmasta-3,5-dien-7-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.20260301 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2034-72-2
- Purity/Analytical Methods: >99.0%
2034-72-2 / (8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-one
Basic Information
CAS
2034-72-2
Multi CAS
No
Molecular Formula
C29H46O
Molecular Weight
410.700000
Exact Mass
410.354866
SMILES
CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C=C4[C@@]3(CCC=C4)C)C)C(C)C
InChI
InChI=1S/C29H46O/c1-7-21(19(2)3)12-11-20(4)23-13-14-24-27-25(15-17-29(23,24)6)28(5)16-9-8-10-22(28)18-26(27)30/h8,10,18-21,23-25,27H,7,9,11-17H2,1-6H3/t20-,21-,23-,24+,25+,27+,28+,29-/m1/s1
InChIKey
LCFUUGFUQQAYMY-CJAQKTMASA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Fraction Csp3
0.83
Rotatable bonds
6
H-bond acceptors
1
Molar refractivity
127.12
TPSA
17.07
LogP / Solubility
WLOGP
8.01
MLOGP
7.07
XLogP3
9.5
Consensus LogP
8.19
Log S (ESOL)
-7.04
Class (ESOL)
Insoluble
Log S (Ali)
-8.71
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.7
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)
0.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
7
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