1-Androstene-3a,17b-diol
TL;DR: 1-Androstene-3a,17b-diol (CAS 14291-94-2) is a chemical compound with molecular formula C21H32O3 and molecular weight 332.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,5S,8R,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl] acetate
Also Known As: 1-Androstene-3a,17b-diol
| Molecular Formula | C21H32O3 |
|---|---|
| Molecular Weight | 332.24 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 332.23514 |
| Heavy Atoms | 24 |
| Complexity | 555.0 |
Chemical Identifiers
| CAS Number | 14291-94-2 |
|---|---|
| SMILES | CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C=C[C@H](C4)O)C)C |
| InChIKey | DAMKKSJPJNUUOH-YRQPXTNQSA-N |
Product Overview
1-Androstene-3a,17b-diol (CAS 14291-94-2), with molecular formula C21H32O3 and molecular weight 332.24 g/mol. IUPAC: [(3S,5S,8R,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl] acetate.
Chemical Property Profile of 1-Androstene-3a,17b-diol
Property Insights of 1-Androstene-3a,17b-diol
The XLogP value of 4.6 indicates that 1-Androstene-3a,17b-diol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 1-Androstene-3a,17b-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Androstene-3a,17b-diol has 1 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 1-Androstene-3a,17b-diol?
The CAS number of 1-Androstene-3a,17b-diol is 14291-94-2.
What is the molecular formula of 1-Androstene-3a,17b-diol?
The molecular formula of 1-Androstene-3a,17b-diol is C21H32O3.
What is the molecular weight of 1-Androstene-3a,17b-diol?
The molecular weight of 1-Androstene-3a,17b-diol is 332.24 g/mol.
Where can I buy 1-Androstene-3a,17b-diol?
You can request a quote for 1-Androstene-3a,17b-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Androstene-3a,17b-diol?
Yes, KEHONG BIO provides custom synthesis services for 1-Androstene-3a,17b-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.