表美雌醇
TL;DR: 表美雌醇 (CAS 90398-67-7) is a chemical compound with molecular formula C19H26O3 and molecular weight 302.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
表美雌醇
(8R,9S,13S,14S,16R,17S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-16,17-diol
Also Known As: Stimovul, Epimestrolo, Epimestrolum, Stimuvol, 3-Methoxyestriol
| Molecular Formula | C19H26O3 |
|---|---|
| Molecular Weight | 302.19 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 302.1882 |
| Heavy Atoms | 22 |
| Complexity | 425.0 |
Chemical Identifiers
| CAS Number | 90398-67-7 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@H]2O)O)CCC4=C3C=CC(=C4)OC |
| InChIKey | UHQGCIIQUZBJAE-RRQVMCLOSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
表美雌醇 (CAS 90398-67-7), with molecular formula C19H26O3 and molecular weight 302.19 g/mol. IUPAC: (8R,9S,13S,14S,16R,17S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-16,17-diol.
Chemical Property Profile of 表美雌醇
Property Insights of 表美雌醇
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 表美雌醇. With a topological polar surface area (TPSA) of 49.7 Ų, 表美雌醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 表美雌醇 has 2 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 表美雌醇?
The CAS number of 表美雌醇 is 90398-67-7.
What is the molecular formula of 表美雌醇?
The molecular formula of 表美雌醇 is C19H26O3.
What is the molecular weight of 表美雌醇?
The molecular weight of 表美雌醇 is 302.19 g/mol.
Where can I buy 表美雌醇?
You can request a quote for 表美雌醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 表美雌醇?
Yes, KEHONG BIO provides custom synthesis services for 表美雌醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.