(3beta,17alpha)-Estr-4-ene-3,17-diol
TL;DR: (3beta,17alpha)-Estr-4-ene-3,17-diol (CAS 64013-72-5) is a chemical compound with molecular formula C18H28O2 and molecular weight 276.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,8R,9S,10R,13S,14S,17R)-13-methyl-1,2,3,6,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,17-diol
Also Known As: DEMETRIC ACID, (3beta,17alpha)-Estr-4-ene-3,17-diol
| Molecular Formula | C18H28O2 |
|---|---|
| Molecular Weight | 276.21 g/mol |
| LogP | 3.2809 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 276.20892 |
| Heavy Atoms | 20 |
| Complexity | 429.13416 |
Chemical Identifiers
| CAS Number | 64013-72-5 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@H]2O)CCC4=C[C@H](CC[C@H]34)O |
Product Overview
(3beta,17alpha)-Estr-4-ene-3,17-diol (CAS 64013-72-5), with molecular formula C18H28O2 and molecular weight 276.21 g/mol. IUPAC: (3S,8R,9S,10R,13S,14S,17R)-13-methyl-1,2,3,6,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,17-diol.
Chemical Property Profile of (3beta,17alpha)-Estr-4-ene-3,17-diol
Property Insights of (3beta,17alpha)-Estr-4-ene-3,17-diol
The XLogP value of 3.2809 indicates that (3beta,17alpha)-Estr-4-ene-3,17-diol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.46 Ų, (3beta,17alpha)-Estr-4-ene-3,17-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3beta,17alpha)-Estr-4-ene-3,17-diol 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 (3beta,17alpha)-Estr-4-ene-3,17-diol?
The CAS number of (3beta,17alpha)-Estr-4-ene-3,17-diol is 64013-72-5.
What is the molecular formula of (3beta,17alpha)-Estr-4-ene-3,17-diol?
The molecular formula of (3beta,17alpha)-Estr-4-ene-3,17-diol is C18H28O2.
What is the molecular weight of (3beta,17alpha)-Estr-4-ene-3,17-diol?
The molecular weight of (3beta,17alpha)-Estr-4-ene-3,17-diol is 276.21 g/mol.
Where can I buy (3beta,17alpha)-Estr-4-ene-3,17-diol?
You can request a quote for (3beta,17alpha)-Estr-4-ene-3,17-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3beta,17alpha)-Estr-4-ene-3,17-diol?
Yes, KEHONG BIO provides custom synthesis services for (3beta,17alpha)-Estr-4-ene-3,17-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.