17,20-Dihydroxypregnan-3-one
TL;DR: 17,20-Dihydroxypregnan-3-one (CAS 58701-87-4) 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.
(5S,8R,9S,10S,13S,14S,17R)-17-hydroxy-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
Also Known As: 17,20-Dihydroxypregnan-3-one, 17,20alpha-P-5beta, (20S)-17,20-Dihydroxy-5alpha-pregnan-3-one, 17alpha,20 alpha-Dihydroxy-5beta-pregnan-3-one, 17 alpha,20 alpha-dihydroxy-5 beta-pregnan-3-one
| Molecular Formula | C21H34O3 |
|---|---|
| Molecular Weight | 334.25 g/mol |
| LogP | 3.7101 |
| Topological Polar Surface Area | 57.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 334.2508 |
| Heavy Atoms | 24 |
| Complexity | 543.20197 |
Chemical Identifiers
| CAS Number | 58701-87-4 |
|---|---|
| SMILES | C[C@@H]([C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CCC(=O)C4)C)C)O)O |
Product Overview
17,20-Dihydroxypregnan-3-one (CAS 58701-87-4), with molecular formula C21H34O3 and molecular weight 334.25 g/mol. IUPAC: (5S,8R,9S,10S,13S,14S,17R)-17-hydroxy-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one.
Chemical Property Profile of 17,20-Dihydroxypregnan-3-one
Property Insights of 17,20-Dihydroxypregnan-3-one
The XLogP value of 3.7101 indicates that 17,20-Dihydroxypregnan-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.53 Ų, 17,20-Dihydroxypregnan-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 17,20-Dihydroxypregnan-3-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 17,20-Dihydroxypregnan-3-one?
The CAS number of 17,20-Dihydroxypregnan-3-one is 58701-87-4.
What is the molecular formula of 17,20-Dihydroxypregnan-3-one?
The molecular formula of 17,20-Dihydroxypregnan-3-one is C21H34O3.
What is the molecular weight of 17,20-Dihydroxypregnan-3-one?
The molecular weight of 17,20-Dihydroxypregnan-3-one is 334.25 g/mol.
Where can I buy 17,20-Dihydroxypregnan-3-one?
You can request a quote for 17,20-Dihydroxypregnan-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17,20-Dihydroxypregnan-3-one?
Yes, KEHONG BIO provides custom synthesis services for 17,20-Dihydroxypregnan-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.