2-chloro-5-(5-((2-oxo-2-((3-(trifluoromethyl)phenyl)amino)ethyl)thio)-1H-tetrazol-1-yl)benzoic acid
TL;DR: 2-chloro-5-(5-((2-oxo-2-((3-(trifluoromethyl)phenyl)amino)ethyl)thio)-1H-tetrazol-1-yl)benzoic acid (CAS 797774-69-7) is a chemical compound with molecular formula C17H11ClF3N5O3S and molecular weight 457.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-5-[5-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]sulfanyltetrazol-1-yl]benzoic acid
Also Known As: 2-chloro-5-(5-((2-oxo-2-((3-(trifluoromethyl)phenyl)amino)ethyl)thio)-1H-tetrazol-1-yl)benzoic acid, 2-CHLORO-5-[5-({2-OXO-2-[3-(TRIFLUOROMETHYL)ANILINO]ETHYL}SULFANYL)-1H-1,2,3,4-TETRAAZOL-1-YL]BENZOIC ACID, 2-chloro-5-[5-[[3-(trifluoromethyl)phenyl]carbamoylmethylsulfanyl]tetrazol-1-yl]benzoic Acid, 2-chloro-5-[5-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]sulfanyltetrazol-1-yl]benzoic acid, 2-chloro-5-{5-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-1H-tetrazol-1-yl}benzoic acid
| Molecular Formula | C17H11ClF3N5O3S |
|---|---|
| Molecular Weight | 457.02 g/mol |
| LogP | 3.7635 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 457.0223 |
| Heavy Atoms | 30 |
| Complexity | 1106.2379 |
Chemical Identifiers
| CAS Number | 797774-69-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC(=O)CSC2=NN=NN2C3=CC(=C(C=C3)Cl)C(=O)O)C(F)(F)F |
Product Overview
2-chloro-5-(5-((2-oxo-2-((3-(trifluoromethyl)phenyl)amino)ethyl)thio)-1H-tetrazol-1-yl)benzoic acid (CAS 797774-69-7), with molecular formula C17H11ClF3N5O3S and molecular weight 457.02 g/mol. IUPAC: 2-chloro-5-[5-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]sulfanyltetrazol-1-yl]benzoic acid.
Chemical Property Profile of 2-chloro-5-(5-((2-oxo-2-((3-(trifluoromethyl)phenyl)amino)ethyl)thio)-1H-tetrazol-1-yl)benzoic acid
Property Insights of 2-chloro-5-(5-((2-oxo-2-((3-(trifluoromethyl)phenyl)amino)ethyl)thio)-1H-tetrazol-1-yl)benzoic acid
The XLogP value of 3.7635 indicates that 2-chloro-5-(5-((2-oxo-2-((3-(trifluoromethyl)phenyl)amino)ethyl)thio)-1H-tetrazol-1-yl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-chloro-5-(5-((2-oxo-2-((3-(trifluoromethyl)phenyl)amino)ethyl)thio)-1H-tetrazol-1-yl)benzoic acid. Following Lipinski's Rule of Five, 2-chloro-5-(5-((2-oxo-2-((3-(trifluoromethyl)phenyl)amino)ethyl)thio)-1H-tetrazol-1-yl)benzoic acid has 2 hydrogen bond donor(s) and 6 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 2-chloro-5-(5-((2-oxo-2-((3-(trifluoromethyl)phenyl)amino)ethyl)thio)-1H-tetrazol-1-yl)benzoic acid?
The CAS number of 2-chloro-5-(5-((2-oxo-2-((3-(trifluoromethyl)phenyl)amino)ethyl)thio)-1H-tetrazol-1-yl)benzoic acid is 797774-69-7.
What is the molecular formula of 2-chloro-5-(5-((2-oxo-2-((3-(trifluoromethyl)phenyl)amino)ethyl)thio)-1H-tetrazol-1-yl)benzoic acid?
The molecular formula of 2-chloro-5-(5-((2-oxo-2-((3-(trifluoromethyl)phenyl)amino)ethyl)thio)-1H-tetrazol-1-yl)benzoic acid is C17H11ClF3N5O3S.
What is the molecular weight of 2-chloro-5-(5-((2-oxo-2-((3-(trifluoromethyl)phenyl)amino)ethyl)thio)-1H-tetrazol-1-yl)benzoic acid?
The molecular weight of 2-chloro-5-(5-((2-oxo-2-((3-(trifluoromethyl)phenyl)amino)ethyl)thio)-1H-tetrazol-1-yl)benzoic acid is 457.02 g/mol.
Where can I buy 2-chloro-5-(5-((2-oxo-2-((3-(trifluoromethyl)phenyl)amino)ethyl)thio)-1H-tetrazol-1-yl)benzoic acid?
You can request a quote for 2-chloro-5-(5-((2-oxo-2-((3-(trifluoromethyl)phenyl)amino)ethyl)thio)-1H-tetrazol-1-yl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloro-5-(5-((2-oxo-2-((3-(trifluoromethyl)phenyl)amino)ethyl)thio)-1H-tetrazol-1-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-5-(5-((2-oxo-2-((3-(trifluoromethyl)phenyl)amino)ethyl)thio)-1H-tetrazol-1-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.