17-(3,3,3-Trifluoro-1-propynyl)estra-1,3,5(10)-trien-3,17-beta-diol
TL;DR: 17-(3,3,3-Trifluoro-1-propynyl)estra-1,3,5(10)-trien-3,17-beta-diol (CAS 2061-56-5) is a chemical compound with molecular formula C21H23F3O2 and molecular weight 364.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(17S)-13-methyl-17-(3,3,3-trifluoroprop-1-ynyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
Also Known As: BDH 6146, 17-(3,3,3-Trifluoro-1-propynyl)estra-1,3,5(10)-trien-3,17-beta-diol, Estra-1,3,5(10)-trien-3,17-diol, 3-methoxy-17-(3,3,3-trifluoro-1-propynyl)-, (17-beta)-, ESTRA-1,3,5(10)-TRIENE-3,17-beta-DIOL, 17-(3,3,3-TRIFLUORO-1-PROPYNYL)-, (17S)-13-methyl-17-(3,3,3-trifluoroprop-1-ynyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
| Molecular Formula | C21H23F3O2 |
|---|---|
| Molecular Weight | 364.17 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 364.165 |
| Heavy Atoms | 26 |
| Complexity | 632.0 |
Chemical Identifiers
| CAS Number | 2061-56-5 |
|---|---|
| SMILES | CC12CCC3C(C1CC[C@]2(C#CC(F)(F)F)O)CCC4=C3C=CC(=C4)O |
| InChIKey | SZQHIOPVLPMIPS-ZWQJFZRQSA-N |
Product Overview
17-(3,3,3-Trifluoro-1-propynyl)estra-1,3,5(10)-trien-3,17-beta-diol (CAS 2061-56-5), with molecular formula C21H23F3O2 and molecular weight 364.17 g/mol. IUPAC: (17S)-13-methyl-17-(3,3,3-trifluoroprop-1-ynyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol.
Chemical Property Profile of 17-(3,3,3-Trifluoro-1-propynyl)estra-1,3,5(10)-trien-3,17-beta-diol
Property Insights of 17-(3,3,3-Trifluoro-1-propynyl)estra-1,3,5(10)-trien-3,17-beta-diol
The XLogP value of 4.7 indicates that 17-(3,3,3-Trifluoro-1-propynyl)estra-1,3,5(10)-trien-3,17-beta-diol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 17-(3,3,3-Trifluoro-1-propynyl)estra-1,3,5(10)-trien-3,17-beta-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 17-(3,3,3-Trifluoro-1-propynyl)estra-1,3,5(10)-trien-3,17-beta-diol has 2 hydrogen bond donor(s) and 5 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 17-(3,3,3-Trifluoro-1-propynyl)estra-1,3,5(10)-trien-3,17-beta-diol?
The CAS number of 17-(3,3,3-Trifluoro-1-propynyl)estra-1,3,5(10)-trien-3,17-beta-diol is 2061-56-5.
What is the molecular formula of 17-(3,3,3-Trifluoro-1-propynyl)estra-1,3,5(10)-trien-3,17-beta-diol?
The molecular formula of 17-(3,3,3-Trifluoro-1-propynyl)estra-1,3,5(10)-trien-3,17-beta-diol is C21H23F3O2.
What is the molecular weight of 17-(3,3,3-Trifluoro-1-propynyl)estra-1,3,5(10)-trien-3,17-beta-diol?
The molecular weight of 17-(3,3,3-Trifluoro-1-propynyl)estra-1,3,5(10)-trien-3,17-beta-diol is 364.17 g/mol.
Where can I buy 17-(3,3,3-Trifluoro-1-propynyl)estra-1,3,5(10)-trien-3,17-beta-diol?
You can request a quote for 17-(3,3,3-Trifluoro-1-propynyl)estra-1,3,5(10)-trien-3,17-beta-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17-(3,3,3-Trifluoro-1-propynyl)estra-1,3,5(10)-trien-3,17-beta-diol?
Yes, KEHONG BIO provides custom synthesis services for 17-(3,3,3-Trifluoro-1-propynyl)estra-1,3,5(10)-trien-3,17-beta-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.