3-(2-Thienyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-5-ol
TL;DR: 3-(2-Thienyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-5-ol (CAS 293759-12-3) is a chemical compound with molecular formula C8H6F3NO2S and molecular weight 237.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-thiophen-2-yl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
Also Known As: Maybridge3_003907, IDI1_015294, 3-(2-Thienyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-5-ol, 3-(Thiophen-2-yl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-5-ol, J1.826.001H
| Molecular Formula | C8H6F3NO2S |
|---|---|
| Molecular Weight | 237.01 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 70.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 237.00714 |
| Heavy Atoms | 15 |
| Complexity | 294.0 |
Chemical Identifiers
| CAS Number | 293759-12-3 |
|---|---|
| SMILES | C1C(=NOC1(C(F)(F)F)O)C2=CC=CS2 |
| InChIKey | WJPBGIHUZWQXOV-UHFFFAOYSA-N |
Product Overview
3-(2-Thienyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-5-ol (CAS 293759-12-3), with molecular formula C8H6F3NO2S and molecular weight 237.01 g/mol. IUPAC: 3-thiophen-2-yl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol.
Chemical Property Profile of 3-(2-Thienyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-5-ol
Property Insights of 3-(2-Thienyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-5-ol
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Thienyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-5-ol. The TPSA of 70.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Thienyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-5-ol. Following Lipinski's Rule of Five, 3-(2-Thienyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-5-ol has 1 hydrogen bond donor(s) and 7 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 3-(2-Thienyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-5-ol?
The CAS number of 3-(2-Thienyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-5-ol is 293759-12-3.
What is the molecular formula of 3-(2-Thienyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-5-ol?
The molecular formula of 3-(2-Thienyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-5-ol is C8H6F3NO2S.
What is the molecular weight of 3-(2-Thienyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-5-ol?
The molecular weight of 3-(2-Thienyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-5-ol is 237.01 g/mol.
Where can I buy 3-(2-Thienyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-5-ol?
You can request a quote for 3-(2-Thienyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-5-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Thienyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-5-ol?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Thienyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-5-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.