17α-表雌三醇
TL;DR: 17α-表雌三醇 (CAS 1235-89-8) 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.
17α-表雌三醇
(8R,9S,13S,14S,16R,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol
Also Known As: 17-Epiestriol, 17alpha-Estriol, Epiestriol, 17-epi-Estriol, 17a-estriol
| 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 | 1235-89-8 |
|---|---|
| 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-PNVOZDDCSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
17α-表雌三醇 (CAS 1235-89-8), with molecular formula C18H24O3 and molecular weight 288.17 g/mol. IUPAC: (8R,9S,13S,14S,16R,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol.
Chemical Property Profile of 17α-表雌三醇
Property Insights of 17α-表雌三醇
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 17α-表雌三醇. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 17α-表雌三醇. Following Lipinski's Rule of Five, 17α-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 17α-表雌三醇?
The CAS number of 17α-表雌三醇 is 1235-89-8.
What is the molecular formula of 17α-表雌三醇?
The molecular formula of 17α-表雌三醇 is C18H24O3.
What is the molecular weight of 17α-表雌三醇?
The molecular weight of 17α-表雌三醇 is 288.17 g/mol.
Where can I buy 17α-表雌三醇?
You can request a quote for 17α-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 17α-表雌三醇?
Yes, KEHONG BIO provides custom synthesis services for 17α-表雌三醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.