21-Hydroxypregnenolone
TL;DR: 21-Hydroxypregnenolone (CAS 1164-98-3) is a chemical compound with molecular formula C21H32O3 and molecular weight 332.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-1-[(8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
Also Known As: 21-Hydroxypregnenolone, 3,21-Dihydroxypregn-5-en-20-one, 3beta,21-dihydroxypregn-5-en-20-one, 1-[(1S,3aS,3bS,9aR,9bS,11aS)-7-hydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-hydroxyethan-1-one, 2-hydroxy-1-[(8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
| Molecular Formula | C21H32O3 |
|---|---|
| Molecular Weight | 332.24 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 332.23514 |
| Heavy Atoms | 24 |
| Complexity | 567.0 |
Chemical Identifiers
| CAS Number | 1164-98-3 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)CO)CC=C4[C@@]3(CCC(C4)O)C |
| InChIKey | MOIQRAOBRXUWGN-JIUSCHCVSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
21-Hydroxypregnenolone (CAS 1164-98-3), with molecular formula C21H32O3 and molecular weight 332.24 g/mol. IUPAC: 2-hydroxy-1-[(8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone.
Chemical Property Profile of 21-Hydroxypregnenolone
Property Insights of 21-Hydroxypregnenolone
The XLogP value of 3.6 indicates that 21-Hydroxypregnenolone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, 21-Hydroxypregnenolone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 21-Hydroxypregnenolone has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 21-Hydroxypregnenolone?
The CAS number of 21-Hydroxypregnenolone is 1164-98-3.
What is the molecular formula of 21-Hydroxypregnenolone?
The molecular formula of 21-Hydroxypregnenolone is C21H32O3.
What is the molecular weight of 21-Hydroxypregnenolone?
The molecular weight of 21-Hydroxypregnenolone is 332.24 g/mol.
Where can I buy 21-Hydroxypregnenolone?
You can request a quote for 21-Hydroxypregnenolone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 21-Hydroxypregnenolone?
Yes, KEHONG BIO provides custom synthesis services for 21-Hydroxypregnenolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.