Butyl 4-amino-3-(3-(trifluoromethyl)phenyl)isothiazole-5-carboxylate
TL;DR: Butyl 4-amino-3-(3-(trifluoromethyl)phenyl)isothiazole-5-carboxylate (CAS 93923-94-5) is a chemical compound with molecular formula C15H15F3N2O2S and molecular weight 344.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-amino-3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-5-carboxylate
Also Known As: EINECS 300-185-0, Butyl 4-amino-3-(3-(trifluoromethyl)phenyl)isothiazole-5-carboxylate, butyl4-amino-3-[3- phenyl]isothiazole-5-carboxylate, Butyl 4-amino-3-(3-(trifluoromethyl)phenyl)-5-isothiazolecarboxylate, butyl 4-amino-3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-5-carboxylate
| Molecular Formula | C15H15F3N2O2S |
|---|---|
| Molecular Weight | 344.08 g/mol |
| LogP | 4.368 |
| Topological Polar Surface Area | 65.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 344.08063 |
| Heavy Atoms | 23 |
| Complexity | 698.2707 |
Chemical Identifiers
| CAS Number | 93923-94-5 |
|---|---|
| SMILES | CCCCOC(=O)C1=C(C(=NS1)C2=CC(=CC=C2)C(F)(F)F)N |
Product Overview
Butyl 4-amino-3-(3-(trifluoromethyl)phenyl)isothiazole-5-carboxylate (CAS 93923-94-5), with molecular formula C15H15F3N2O2S and molecular weight 344.08 g/mol. IUPAC: butyl 4-amino-3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-5-carboxylate.
Chemical Property Profile of Butyl 4-amino-3-(3-(trifluoromethyl)phenyl)isothiazole-5-carboxylate
Property Insights of Butyl 4-amino-3-(3-(trifluoromethyl)phenyl)isothiazole-5-carboxylate
The XLogP value of 4.368 indicates that Butyl 4-amino-3-(3-(trifluoromethyl)phenyl)isothiazole-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.21 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyl 4-amino-3-(3-(trifluoromethyl)phenyl)isothiazole-5-carboxylate. Following Lipinski's Rule of Five, Butyl 4-amino-3-(3-(trifluoromethyl)phenyl)isothiazole-5-carboxylate has 1 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 Butyl 4-amino-3-(3-(trifluoromethyl)phenyl)isothiazole-5-carboxylate?
The CAS number of Butyl 4-amino-3-(3-(trifluoromethyl)phenyl)isothiazole-5-carboxylate is 93923-94-5.
What is the molecular formula of Butyl 4-amino-3-(3-(trifluoromethyl)phenyl)isothiazole-5-carboxylate?
The molecular formula of Butyl 4-amino-3-(3-(trifluoromethyl)phenyl)isothiazole-5-carboxylate is C15H15F3N2O2S.
What is the molecular weight of Butyl 4-amino-3-(3-(trifluoromethyl)phenyl)isothiazole-5-carboxylate?
The molecular weight of Butyl 4-amino-3-(3-(trifluoromethyl)phenyl)isothiazole-5-carboxylate is 344.08 g/mol.
Where can I buy Butyl 4-amino-3-(3-(trifluoromethyl)phenyl)isothiazole-5-carboxylate?
You can request a quote for Butyl 4-amino-3-(3-(trifluoromethyl)phenyl)isothiazole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 4-amino-3-(3-(trifluoromethyl)phenyl)isothiazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 4-amino-3-(3-(trifluoromethyl)phenyl)isothiazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.