21-Hydroxy-9beta,10alpha-pregna-5,7-diene-3-ol-20-one
TL;DR: 21-Hydroxy-9beta,10alpha-pregna-5,7-diene-3-ol-20-one (CAS 86416-32-2) is a chemical compound with molecular formula C21H30O3 and molecular weight 330.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-1-[(3S,9R,10S,13S,14R,17S)-3-hydroxy-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
Also Known As: Metabolite M, 21-Hydroxy-9beta,10alpha-pregna-5,7-diene-3-ol-20-one, 3,21-dihydroxypregna-5,7-dien-20-one, J2.932.973G, 3beta,21-dihydroxy-9beta,10alpha-pregna-5,7-dien-20-one
| Molecular Formula | C21H30O3 |
|---|---|
| Molecular Weight | 330.22 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 330.21948 |
| Heavy Atoms | 24 |
| Complexity | 619.0 |
Chemical Identifiers
| CAS Number | 86416-32-2 |
|---|---|
| SMILES | C[C@]12CC[C@@H]3C(=CC=C4[C@]3(CC[C@@H](C4)O)C)[C@@H]1CC[C@@H]2C(=O)CO |
| InChIKey | MGYSTOQOSMRLQF-JZUJSFITSA-N |
Product Overview
21-Hydroxy-9beta,10alpha-pregna-5,7-diene-3-ol-20-one (CAS 86416-32-2), with molecular formula C21H30O3 and molecular weight 330.22 g/mol. IUPAC: 2-hydroxy-1-[(3S,9R,10S,13S,14R,17S)-3-hydroxy-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone.
Chemical Property Profile of 21-Hydroxy-9beta,10alpha-pregna-5,7-diene-3-ol-20-one
Property Insights of 21-Hydroxy-9beta,10alpha-pregna-5,7-diene-3-ol-20-one
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 21-Hydroxy-9beta,10alpha-pregna-5,7-diene-3-ol-20-one. With a topological polar surface area (TPSA) of 57.5 Ų, 21-Hydroxy-9beta,10alpha-pregna-5,7-diene-3-ol-20-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 21-Hydroxy-9beta,10alpha-pregna-5,7-diene-3-ol-20-one 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-Hydroxy-9beta,10alpha-pregna-5,7-diene-3-ol-20-one?
The CAS number of 21-Hydroxy-9beta,10alpha-pregna-5,7-diene-3-ol-20-one is 86416-32-2.
What is the molecular formula of 21-Hydroxy-9beta,10alpha-pregna-5,7-diene-3-ol-20-one?
The molecular formula of 21-Hydroxy-9beta,10alpha-pregna-5,7-diene-3-ol-20-one is C21H30O3.
What is the molecular weight of 21-Hydroxy-9beta,10alpha-pregna-5,7-diene-3-ol-20-one?
The molecular weight of 21-Hydroxy-9beta,10alpha-pregna-5,7-diene-3-ol-20-one is 330.22 g/mol.
Where can I buy 21-Hydroxy-9beta,10alpha-pregna-5,7-diene-3-ol-20-one?
You can request a quote for 21-Hydroxy-9beta,10alpha-pregna-5,7-diene-3-ol-20-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 21-Hydroxy-9beta,10alpha-pregna-5,7-diene-3-ol-20-one?
Yes, KEHONG BIO provides custom synthesis services for 21-Hydroxy-9beta,10alpha-pregna-5,7-diene-3-ol-20-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.