11-beta-Ethyl-17-alpha-ethinylestradiol
TL;DR: 11-beta-Ethyl-17-alpha-ethinylestradiol (CAS 39845-47-1) is a chemical compound with molecular formula C22H28O2 and molecular weight 324.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S,9S,11S,13S,14S,17R)-11-ethyl-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
Also Known As: 11-beta-Ethyl-17-alpha-ethinylestradiol, KST-1A4763, 11beta-Ethyl-17alpha-ethinylestradiol, 11beta-Ethyl-17-ethynyl-17beta-estradiol, (11
| Molecular Formula | C22H28O2 |
|---|---|
| Molecular Weight | 324.21 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 324.20892 |
| Heavy Atoms | 24 |
| Complexity | 547.0 |
Chemical Identifiers
| CAS Number | 39845-47-1 |
|---|---|
| SMILES | CC[C@H]1C[C@]2([C@@H](CC[C@]2(C#C)O)[C@H]3[C@H]1C4=C(CC3)C=C(C=C4)O)C |
| InChIKey | XDNAXLLZXDEEDC-UQNKQVHQSA-N |
Product Overview
11-beta-Ethyl-17-alpha-ethinylestradiol (CAS 39845-47-1), with molecular formula C22H28O2 and molecular weight 324.21 g/mol. IUPAC: (8S,9S,11S,13S,14S,17R)-11-ethyl-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol.
Chemical Property Profile of 11-beta-Ethyl-17-alpha-ethinylestradiol
Property Insights of 11-beta-Ethyl-17-alpha-ethinylestradiol
The XLogP value of 4.5 indicates that 11-beta-Ethyl-17-alpha-ethinylestradiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 11-beta-Ethyl-17-alpha-ethinylestradiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 11-beta-Ethyl-17-alpha-ethinylestradiol 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 11-beta-Ethyl-17-alpha-ethinylestradiol?
The CAS number of 11-beta-Ethyl-17-alpha-ethinylestradiol is 39845-47-1.
What is the molecular formula of 11-beta-Ethyl-17-alpha-ethinylestradiol?
The molecular formula of 11-beta-Ethyl-17-alpha-ethinylestradiol is C22H28O2.
What is the molecular weight of 11-beta-Ethyl-17-alpha-ethinylestradiol?
The molecular weight of 11-beta-Ethyl-17-alpha-ethinylestradiol is 324.21 g/mol.
Where can I buy 11-beta-Ethyl-17-alpha-ethinylestradiol?
You can request a quote for 11-beta-Ethyl-17-alpha-ethinylestradiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11-beta-Ethyl-17-alpha-ethinylestradiol?
Yes, KEHONG BIO provides custom synthesis services for 11-beta-Ethyl-17-alpha-ethinylestradiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.