CAS RN: 23582-83-4
5-Dehydroepisterol
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.20250426 | 1mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS23582-83-4
- Purity/Analytical Methods: >99.0%
23582-83-4 / (3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
Basic Information
CAS
23582-83-4
Multi CAS
No
Molecular Formula
C28H44O
Molecular Weight
396.600000
Exact Mass
396.339216
SMILES
C[C@H](CCC(=C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C
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/h9-10,18,20,22,24-26,29H,3,7-8,11-17H2,1-2,4-6H3/t20-,22+,24-,25+,26+,27+,28-/m1/s1
InChIKey
ZEPNVCGPJXYABB-LOIOQLKMSA-N
Physical Properties
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
29
Fraction Csp3
0.79
Rotatable bonds
5
H-bond acceptors
1
H-bond donors
1
Molar refractivity
123.55
TPSA
20.23
LogP / Solubility
WLOGP
7.47
MLOGP
6.6
XLogP3
8
Consensus LogP
7.36
Log S (ESOL)
-6.68
Class (ESOL)
Insoluble
Log S (Ali)
-8.21
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)
0.17
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
6.5
![CAS 2358-41-0 1-FLUORO-2-[(TRIFLUOROMETHYL)SULFONYL]BENZENE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2358-41-0.gif)
