CAS RN: 21853-11-2
5α-Pregnane-3β,6α-diol-20-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.20250226 | 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS21853-11-2
- Purity/Analytical Methods: >99.0%
21853-11-2 / 1-[(3S,5S,6S,8R,9S,10R,13S,14S,17S)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
Basic Information
CAS
21853-11-2
Multi CAS
No
Molecular Formula
C21H34O3
Molecular Weight
334.500000
Exact Mass
334.250795
SMILES
CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H]([C@@H]4[C@@]3(CC[C@@H](C4)O)C)O)C
InChI
InChI=1S/C21H34O3/c1-12(22)15-4-5-16-14-11-19(24)18-10-13(23)6-8-21(18,3)17(14)7-9-20(15,16)2/h13-19,23-24H,4-11H2,1-3H3/t13-,14-,15+,16-,17-,18+,19-,20+,21+/m0/s1
InChIKey
HHUZGDMRRLQZIQ-WAXVQEINSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Fraction Csp3
0.95
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
93.29
TPSA
57.53
LogP / Solubility
WLOGP
3.57
MLOGP
3.15
XLogP3
3.5
Consensus LogP
3.41
Log S (ESOL)
-4.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.88
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.91
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
7.5
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- CAS RN: 21856-94-0
- Product Code: starshine_CAS21856-94-0
- Purity/Analytical method: >99.0%
