3,11-Dihydroxypregnan-20-one
TL;DR: 3,11-Dihydroxypregnan-20-one (CAS 600-52-2) 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.
1-[(3R,5R,8S,9S,10S,11R,13S,14S,17S)-3,11-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
Also Known As: 3,11-Dihydroxypregnan-20-one, 3alpha,11alpha-Dihydroxy-5beta-pregnan-20-one, 5beta-Pregnan-20-one, 3alpha,11alpha-dihydroxy-, 3-alpha,11-alpha-Dihydroxy-5-beta-pregnan-20-one, 5-beta-Pregnan-20-one, 3-alpha,11-alpha-dihydroxy-
| Molecular Formula | C21H34O3 |
|---|---|
| Molecular Weight | 334.25 g/mol |
| LogP | 3.5 |
| 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 | 600-52-2 |
|---|---|
| SMILES | CC(=O)[C@H]1CC[C@@H]2[C@@]1(C[C@H]([C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C |
| InChIKey | NFVCQZNBRFPYOP-WDDOJFKXSA-N |
Product Overview
3,11-Dihydroxypregnan-20-one (CAS 600-52-2), with molecular formula C21H34O3 and molecular weight 334.25 g/mol. IUPAC: 1-[(3R,5R,8S,9S,10S,11R,13S,14S,17S)-3,11-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.
Chemical Property Profile of 3,11-Dihydroxypregnan-20-one
Property Insights of 3,11-Dihydroxypregnan-20-one
The XLogP value of 3.5 indicates that 3,11-Dihydroxypregnan-20-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, 3,11-Dihydroxypregnan-20-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,11-Dihydroxypregnan-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 3,11-Dihydroxypregnan-20-one?
The CAS number of 3,11-Dihydroxypregnan-20-one is 600-52-2.
What is the molecular formula of 3,11-Dihydroxypregnan-20-one?
The molecular formula of 3,11-Dihydroxypregnan-20-one is C21H34O3.
What is the molecular weight of 3,11-Dihydroxypregnan-20-one?
The molecular weight of 3,11-Dihydroxypregnan-20-one is 334.25 g/mol.
Where can I buy 3,11-Dihydroxypregnan-20-one?
You can request a quote for 3,11-Dihydroxypregnan-20-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,11-Dihydroxypregnan-20-one?
Yes, KEHONG BIO provides custom synthesis services for 3,11-Dihydroxypregnan-20-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.