17alpha-Ethylestradiol 3-methyl ether
TL;DR: 17alpha-Ethylestradiol 3-methyl ether (CAS 20926-67-4) is a chemical compound with molecular formula C21H30O2 and molecular weight 314.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,9S,13S,14S,17S)-17-ethyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
Also Known As: 17alpha-Ethylestradiol 3-methyl ether, EINECS 241-535-1, J1.879.154D, 17alpha-Ethyl-17beta-estradiol 3-methyl ether, 17.ALPHA.-ETHYLESTRADIOL 3-METHYL ETHER
| Molecular Formula | C21H30O2 |
|---|---|
| Molecular Weight | 314.22 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 314.22458 |
| Heavy Atoms | 23 |
| Complexity | 449.0 |
Chemical Identifiers
| CAS Number | 20926-67-4 |
|---|---|
| SMILES | CC[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C3C=CC(=C4)OC)C)O |
| InChIKey | NVYBDSYHTNOJSQ-MJCUULBUSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
17alpha-Ethylestradiol 3-methyl ether (CAS 20926-67-4), with molecular formula C21H30O2 and molecular weight 314.22 g/mol. IUPAC: (8R,9S,13S,14S,17S)-17-ethyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol.
Chemical Property Profile of 17alpha-Ethylestradiol 3-methyl ether
Property Insights of 17alpha-Ethylestradiol 3-methyl ether
The XLogP value of 3.7 indicates that 17alpha-Ethylestradiol 3-methyl ether is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 17alpha-Ethylestradiol 3-methyl ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 17alpha-Ethylestradiol 3-methyl ether 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 17alpha-Ethylestradiol 3-methyl ether?
The CAS number of 17alpha-Ethylestradiol 3-methyl ether is 20926-67-4.
What is the molecular formula of 17alpha-Ethylestradiol 3-methyl ether?
The molecular formula of 17alpha-Ethylestradiol 3-methyl ether is C21H30O2.
What is the molecular weight of 17alpha-Ethylestradiol 3-methyl ether?
The molecular weight of 17alpha-Ethylestradiol 3-methyl ether is 314.22 g/mol.
Where can I buy 17alpha-Ethylestradiol 3-methyl ether?
You can request a quote for 17alpha-Ethylestradiol 3-methyl ether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17alpha-Ethylestradiol 3-methyl ether?
Yes, KEHONG BIO provides custom synthesis services for 17alpha-Ethylestradiol 3-methyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.