美雌醇
TL;DR: 美雌醇 (CAS 72-33-3) is a chemical compound with molecular formula C21H26O2 and molecular weight 310.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
美雌醇
17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
Also Known As: mestranol, Inostral, Devocin, Norquen, Ovastol
| Molecular Formula | C21H26O2 |
|---|---|
| Molecular Weight | 310.19 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 310.19327 |
| Heavy Atoms | 23 |
| Complexity | 519.0 |
Chemical Identifiers
| CAS Number | 72-33-3 |
|---|---|
| SMILES | CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)OC |
| InChIKey | IMSSROKUHAOUJS-UHFFFAOYSA-N |
Product Overview
美雌醇 (CAS 72-33-3), with molecular formula C21H26O2 and molecular weight 310.19 g/mol. IUPAC: 17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol.
Chemical Property Profile of 美雌醇
Property Insights of 美雌醇
The XLogP value of 4.0 indicates that 炔雌醇甲醚 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 美雌醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 炔雌醇甲醚 has 1 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 炔雌醇甲醚?
The CAS number of 炔雌醇甲醚 is 72-33-3.
What is the molecular formula of 炔雌醇甲醚?
The molecular formula of 炔雌醇甲醚 is C21H26O2.
What is the molecular weight of 炔雌醇甲醚?
The molecular weight of 炔雌醇甲醚 is 310.19 g/mol.
Where can I buy 炔雌醇甲醚?
You can request a quote for 炔雌醇甲醚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 炔雌醇甲醚?
Yes, KEHONG BIO provides custom synthesis services for 炔雌醇甲醚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.