16beta-Ethylestradiol-17beta
TL;DR: 16beta-Ethylestradiol-17beta (CAS 62633-99-2) is a chemical compound with molecular formula C20H28O2 and molecular weight 300.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,9S,13S,14S,16S,17S)-16-ethyl-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
Also Known As: 16beta-ethylestradiol, 16beta-Ethylestradiol-17beta, 16-Ethylestra-1(10),2,4-triene-3,17-diol, 16beta-Ethyl-1,3,5(10)-estratriene-3,17beta-diol, 16beta-Ethylestra-1(10),2,4-triene-3,17beta-diol
| Molecular Formula | C20H28O2 |
|---|---|
| Molecular Weight | 300.21 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 300.20892 |
| Heavy Atoms | 22 |
| Complexity | 422.0 |
Chemical Identifiers
| CAS Number | 62633-99-2 |
|---|---|
| SMILES | CC[C@H]1C[C@H]2[C@@H]3CCC4=C([C@H]3CC[C@@]2([C@H]1O)C)C=CC(=C4)O |
| InChIKey | RSPINGMAWKOXBT-BZGHQHJYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
16beta-Ethylestradiol-17beta (CAS 62633-99-2), with molecular formula C20H28O2 and molecular weight 300.21 g/mol. IUPAC: (8R,9S,13S,14S,16S,17S)-16-ethyl-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol.
Chemical Property Profile of 16beta-Ethylestradiol-17beta
Property Insights of 16beta-Ethylestradiol-17beta
The XLogP value of 4.8 indicates that 16beta-Ethylestradiol-17beta is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 16beta-Ethylestradiol-17beta exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 16beta-Ethylestradiol-17beta 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 16beta-Ethylestradiol-17beta?
The CAS number of 16beta-Ethylestradiol-17beta is 62633-99-2.
What is the molecular formula of 16beta-Ethylestradiol-17beta?
The molecular formula of 16beta-Ethylestradiol-17beta is C20H28O2.
What is the molecular weight of 16beta-Ethylestradiol-17beta?
The molecular weight of 16beta-Ethylestradiol-17beta is 300.21 g/mol.
Where can I buy 16beta-Ethylestradiol-17beta?
You can request a quote for 16beta-Ethylestradiol-17beta directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 16beta-Ethylestradiol-17beta?
Yes, KEHONG BIO provides custom synthesis services for 16beta-Ethylestradiol-17beta and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.