3beta,17beta-Diacetoxy-4-estrene
TL;DR: 3beta,17beta-Diacetoxy-4-estrene (CAS 51154-02-0) is a chemical compound with molecular formula C22H32O4 and molecular weight 362.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3S,8R,9S,10R,13S,14S,17S)-3-acetyloxy-13-methyl-2-tritio-1,2,3,6,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] acetate
Also Known As: 3beta,17beta-Diacetoxy-4-estrene, [(2S,3S,8R,9S,10R,13S,14S,17S)-3-acetyloxy-13-methyl-2-tritio-1,2,3,6,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] acetate, Estr-4-ene-2-t-3,17-diol, diacetate, (2beta,3beta,17beta)-
| Molecular Formula | C22H32O4 |
|---|---|
| Molecular Weight | 362.24 g/mol |
| LogP | 4.4225 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 362.23828 |
| Heavy Atoms | 26 |
| Complexity | 658.69824 |
Chemical Identifiers
| CAS Number | 51154-02-0 |
|---|---|
| SMILES | [H][C@@]1(C[C@@H]2[C@H]3CC[C@]4([C@H]([C@@H]3CCC2=C[C@H]1OC(=O)C)CC[C@@H]4OC(=O)C)C)[3H] |
Product Overview
3beta,17beta-Diacetoxy-4-estrene (CAS 51154-02-0), with molecular formula C22H32O4 and molecular weight 362.24 g/mol. IUPAC: [(2S,3S,8R,9S,10R,13S,14S,17S)-3-acetyloxy-13-methyl-2-tritio-1,2,3,6,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] acetate.
Chemical Property Profile of 3beta,17beta-Diacetoxy-4-estrene
Property Insights of 3beta,17beta-Diacetoxy-4-estrene
The XLogP value of 4.4225 indicates that 3beta,17beta-Diacetoxy-4-estrene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 3beta,17beta-Diacetoxy-4-estrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3beta,17beta-Diacetoxy-4-estrene has 0 hydrogen bond donor(s) and 4 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 3beta,17beta-Diacetoxy-4-estrene?
The CAS number of 3beta,17beta-Diacetoxy-4-estrene is 51154-02-0.
What is the molecular formula of 3beta,17beta-Diacetoxy-4-estrene?
The molecular formula of 3beta,17beta-Diacetoxy-4-estrene is C22H32O4.
What is the molecular weight of 3beta,17beta-Diacetoxy-4-estrene?
The molecular weight of 3beta,17beta-Diacetoxy-4-estrene is 362.24 g/mol.
Where can I buy 3beta,17beta-Diacetoxy-4-estrene?
You can request a quote for 3beta,17beta-Diacetoxy-4-estrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3beta,17beta-Diacetoxy-4-estrene?
Yes, KEHONG BIO provides custom synthesis services for 3beta,17beta-Diacetoxy-4-estrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.