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 ethinyl estradiol 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, ethinyl estradiol 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 ethinyl estradiol?
The CAS number of ethinyl estradiol is 57-63-6.
What is the molecular formula of ethinyl estradiol?
The molecular formula of ethinyl estradiol is C20H24O2.
What is the molecular weight of ethinyl estradiol?
The molecular weight of ethinyl estradiol is 296.18 g/mol.
Where can I buy ethinyl estradiol?
You can request a quote for ethinyl estradiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethinyl estradiol?
Yes, KEHONG BIO provides custom synthesis services for ethinyl estradiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.