11-Keto-pregnanediol
TL;DR: 11-Keto-pregnanediol (CAS 79328-69-1) is a chemical compound with molecular formula C21H34O3 and molecular weight 334.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,5R,8S,9S,10S,13S,14S,17S)-3-hydroxy-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one
Also Known As: 11-Keto-pregnanediol, Pregnan-3,20-diol-11-one, 3,20-Dihydroxypregnan-11-one #, 3alpha,20-alpha-Dihydroxy-5beta-pregnan-11-one, (20S)-3alpha,20-Dihydroxy-5beta-pregnan-11-one
| Molecular Formula | C21H34O3 |
|---|---|
| Molecular Weight | 334.25 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 334.2508 |
| Heavy Atoms | 24 |
| Complexity | 531.0 |
Chemical Identifiers
| CAS Number | 79328-69-1 |
|---|---|
| SMILES | C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C)O |
| InChIKey | OFWWSHNAQHDEIN-GKBUJGRRSA-N |
Product Overview
11-Keto-pregnanediol (CAS 79328-69-1), with molecular formula C21H34O3 and molecular weight 334.25 g/mol. IUPAC: (3R,5R,8S,9S,10S,13S,14S,17S)-3-hydroxy-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one.
Chemical Property Profile of 11-Keto-pregnanediol
Property Insights of 11-Keto-pregnanediol
The XLogP value of 3.6 indicates that 11-Keto-pregnanediol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, 11-Keto-pregnanediol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 11-Keto-pregnanediol 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 11-Keto-pregnanediol?
The CAS number of 11-Keto-pregnanediol is 79328-69-1.
What is the molecular formula of 11-Keto-pregnanediol?
The molecular formula of 11-Keto-pregnanediol is C21H34O3.
What is the molecular weight of 11-Keto-pregnanediol?
The molecular weight of 11-Keto-pregnanediol is 334.25 g/mol.
Where can I buy 11-Keto-pregnanediol?
You can request a quote for 11-Keto-pregnanediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11-Keto-pregnanediol?
Yes, KEHONG BIO provides custom synthesis services for 11-Keto-pregnanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.