炔雌醇
TL;DR: 炔雌醇 (CAS 57-63-6) is a chemical compound with molecular formula C20H24O2 and molecular weight 296.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
炔雌醇
17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
Also Known As: ethinyl estradiol, Ethynylestradiol, Repaglinide, Ethynyl estradiol, Lynoral
| Molecular Formula | C20H24O2 |
|---|---|
| Molecular Weight | 296.18 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 296.17764 |
| Heavy Atoms | 22 |
| Complexity | 505.0 |
Chemical Identifiers
| CAS Number | 57-63-6 |
|---|---|
| SMILES | CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)O |
| InChIKey | BFPYWIDHMRZLRN-UHFFFAOYSA-N |
Product Overview
炔雌醇 (CAS 57-63-6), with molecular formula C20H24O2 and molecular weight 296.18 g/mol. IUPAC: 17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol.
Chemical Property Profile of 炔雌醇
Property Insights of 炔雌醇
The XLogP value of 3.7 indicates that 炔雌醇 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 炔雌醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 炔雌醇 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 炔雌醇?
The CAS number of 炔雌醇 is 57-63-6.
What is the molecular formula of 炔雌醇?
The molecular formula of 炔雌醇 is C20H24O2.
What is the molecular weight of 炔雌醇?
The molecular weight of 炔雌醇 is 296.18 g/mol.
Where can I buy 炔雌醇?
You can request a quote for 炔雌醇 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?
Yes, KEHONG BIO provides custom synthesis services for 炔雌醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.