3-beta,17-alpha-Dihydroxy-5-alpha-pregnan-20-one
TL;DR: 3-beta,17-alpha-Dihydroxy-5-alpha-pregnan-20-one (CAS 570-54-7) 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-(3,17-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl)ethanone
Also Known As: benzoylecgonine, 17-Hydroxypregnanolone, 17, A-Hydroxypregnanolone, A-Pregnan-3
| Molecular Formula | C21H34O3 |
|---|---|
| Molecular Weight | 334.25 g/mol |
| LogP | 3.7 |
| 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 | 545.0 |
Chemical Identifiers
| CAS Number | 570-54-7 |
|---|---|
| SMILES | CC(=O)C1(CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C)O |
| InChIKey | LKQDFQLSEHWIRK-UHFFFAOYSA-N |
Product Overview
3-beta,17-alpha-Dihydroxy-5-alpha-pregnan-20-one (CAS 570-54-7), with molecular formula C21H34O3 and molecular weight 334.25 g/mol. IUPAC: 1-(3,17-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl)ethanone.
Chemical Property Profile of 3-beta,17-alpha-Dihydroxy-5-alpha-pregnan-20-one
Property Insights of 3-beta,17-alpha-Dihydroxy-5-alpha-pregnan-20-one
The XLogP value of 3.7 indicates that 3-beta,17-alpha-Dihydroxy-5-alpha-pregnan-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-beta,17-alpha-Dihydroxy-5-alpha-pregnan-20-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-beta,17-alpha-Dihydroxy-5-alpha-pregnan-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-beta,17-alpha-Dihydroxy-5-alpha-pregnan-20-one?
The CAS number of 3-beta,17-alpha-Dihydroxy-5-alpha-pregnan-20-one is 570-54-7.
What is the molecular formula of 3-beta,17-alpha-Dihydroxy-5-alpha-pregnan-20-one?
The molecular formula of 3-beta,17-alpha-Dihydroxy-5-alpha-pregnan-20-one is C21H34O3.
What is the molecular weight of 3-beta,17-alpha-Dihydroxy-5-alpha-pregnan-20-one?
The molecular weight of 3-beta,17-alpha-Dihydroxy-5-alpha-pregnan-20-one is 334.25 g/mol.
Where can I buy 3-beta,17-alpha-Dihydroxy-5-alpha-pregnan-20-one?
You can request a quote for 3-beta,17-alpha-Dihydroxy-5-alpha-pregnan-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-beta,17-alpha-Dihydroxy-5-alpha-pregnan-20-one?
Yes, KEHONG BIO provides custom synthesis services for 3-beta,17-alpha-Dihydroxy-5-alpha-pregnan-20-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.