5A-Estran-3B,17B-diol, 17A-ethyl
TL;DR: 5A-Estran-3B,17B-diol, 17A-ethyl (CAS 94021-41-7) is a chemical compound with molecular formula C20H34O2 and molecular weight 306.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,5S,8R,9R,10S,13S,14S,17S)-17-ethyl-13-methyl-2,3,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
Also Known As: 5A-Estran-3B,17B-diol, 17A-ethyl, 17a-Ethyl-5a-estrane-3b,17b-diol, 19-Nor-5a,17a-pregnane-3b,17-diol, (3b,5a,17a)-19-Norpregnane-3,17-diol, J1.936.093H
| Molecular Formula | C20H34O2 |
|---|---|
| Molecular Weight | 306.26 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 306.2559 |
| Heavy Atoms | 22 |
| Complexity | 435.0 |
Chemical Identifiers
| CAS Number | 94021-41-7 |
|---|---|
| SMILES | CC[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@H]3CC[C@@H](C4)O)C)O |
| InChIKey | GUBNWXDDDXQJOQ-WSIJOFGPSA-N |
Product Overview
5A-Estran-3B,17B-diol, 17A-ethyl (CAS 94021-41-7), with molecular formula C20H34O2 and molecular weight 306.26 g/mol. IUPAC: (3S,5S,8R,9R,10S,13S,14S,17S)-17-ethyl-13-methyl-2,3,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol.
Chemical Property Profile of 5A-Estran-3B,17B-diol, 17A-ethyl
Property Insights of 5A-Estran-3B,17B-diol, 17A-ethyl
The XLogP value of 4.5 indicates that 5A-Estran-3B,17B-diol, 17A-ethyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 5A-Estran-3B,17B-diol, 17A-ethyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5A-Estran-3B,17B-diol, 17A-ethyl has 2 hydrogen bond donor(s) and 2 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 5A-Estran-3B,17B-diol, 17A-ethyl?
The CAS number of 5A-Estran-3B,17B-diol, 17A-ethyl is 94021-41-7.
What is the molecular formula of 5A-Estran-3B,17B-diol, 17A-ethyl?
The molecular formula of 5A-Estran-3B,17B-diol, 17A-ethyl is C20H34O2.
What is the molecular weight of 5A-Estran-3B,17B-diol, 17A-ethyl?
The molecular weight of 5A-Estran-3B,17B-diol, 17A-ethyl is 306.26 g/mol.
Where can I buy 5A-Estran-3B,17B-diol, 17A-ethyl?
You can request a quote for 5A-Estran-3B,17B-diol, 17A-ethyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5A-Estran-3B,17B-diol, 17A-ethyl?
Yes, KEHONG BIO provides custom synthesis services for 5A-Estran-3B,17B-diol, 17A-ethyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.