表雌三醇
TL;DR: 表雌三醇 (CAS 547-81-9) is a chemical compound with molecular formula C18H24O3 and molecular weight 288.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
表雌三醇
(8R,9S,13S,14S,16S,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol
Also Known As: Epiestriol, 16-Epiestriol, Epioestriol, Actriol, Epiestriolum
| Molecular Formula | C18H24O3 |
|---|---|
| Molecular Weight | 288.17 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 288.17255 |
| Heavy Atoms | 21 |
| Complexity | 411.0 |
Chemical Identifiers
| CAS Number | 547-81-9 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@@H]([C@@H]2O)O)CCC4=C3C=CC(=C4)O |
| InChIKey | PROQIPRRNZUXQM-ZMSHIADSSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
表雌三醇 (CAS 547-81-9), with molecular formula C18H24O3 and molecular weight 288.17 g/mol. IUPAC: (8R,9S,13S,14S,16S,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol.
Chemical Property Profile of 表雌三醇
Property Insights of 表雌三醇
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 表雌三醇. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 表雌三醇. Following Lipinski's Rule of Five, 表雌三醇 has 3 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 表雌三醇?
The CAS number of 表雌三醇 is 547-81-9.
What is the molecular formula of 表雌三醇?
The molecular formula of 表雌三醇 is C18H24O3.
What is the molecular weight of 表雌三醇?
The molecular weight of 表雌三醇 is 288.17 g/mol.
Where can I buy 表雌三醇?
You can request a quote for 表雌三醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 表雌三醇?
Yes, KEHONG BIO provides custom synthesis services for 表雌三醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.