4-(((Dichlorofluoromethyl)thio)(trifluoromethyl)amino)benzoic acid
TL;DR: 4-(((Dichlorofluoromethyl)thio)(trifluoromethyl)amino)benzoic acid (CAS 29363-53-9) is a chemical compound with molecular formula C9H5Cl2F4NO2S and molecular weight 336.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[dichloro(fluoro)methyl]sulfanyl-(trifluoromethyl)amino]benzoic acid
Also Known As: 4-[[(DICHLOROFLUOROMETHYL)THIO](TRIFLUOROMETHYL)AMINO]BENZOIC ACID, 4-(((Dichlorofluoromethyl)thio)(trifluoromethyl)amino)benzoic acid, benzoic acid, 4-[[(dichlorofluoromethyl)thio](trifluoromethyl)amino]-, Benzoic acid,4-[[(dichlorofluoromethyl)thio](trifluoromethyl)amino]-, 4-[[dichloro(fluoro)methyl]sulfanyl-(trifluoromethyl)amino]benzoic acid
| Molecular Formula | C9H5Cl2F4NO2S |
|---|---|
| Molecular Weight | 336.94 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 65.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 336.93542 |
| Heavy Atoms | 19 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 29363-53-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)O)N(C(F)(F)F)SC(F)(Cl)Cl |
| InChIKey | OHZCUEZSYBNWJF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(((Dichlorofluoromethyl)thio)(trifluoromethyl)amino)benzoic acid (CAS 29363-53-9), with molecular formula C9H5Cl2F4NO2S and molecular weight 336.94 g/mol. IUPAC: 4-[[dichloro(fluoro)methyl]sulfanyl-(trifluoromethyl)amino]benzoic acid.
Chemical Property Profile of 4-(((Dichlorofluoromethyl)thio)(trifluoromethyl)amino)benzoic acid
Property Insights of 4-(((Dichlorofluoromethyl)thio)(trifluoromethyl)amino)benzoic acid
The XLogP value of 4.9 indicates that 4-(((Dichlorofluoromethyl)thio)(trifluoromethyl)amino)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(((Dichlorofluoromethyl)thio)(trifluoromethyl)amino)benzoic acid. Following Lipinski's Rule of Five, 4-(((Dichlorofluoromethyl)thio)(trifluoromethyl)amino)benzoic acid has 1 hydrogen bond donor(s) and 8 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 4-(((Dichlorofluoromethyl)thio)(trifluoromethyl)amino)benzoic acid?
The CAS number of 4-(((Dichlorofluoromethyl)thio)(trifluoromethyl)amino)benzoic acid is 29363-53-9.
What is the molecular formula of 4-(((Dichlorofluoromethyl)thio)(trifluoromethyl)amino)benzoic acid?
The molecular formula of 4-(((Dichlorofluoromethyl)thio)(trifluoromethyl)amino)benzoic acid is C9H5Cl2F4NO2S.
What is the molecular weight of 4-(((Dichlorofluoromethyl)thio)(trifluoromethyl)amino)benzoic acid?
The molecular weight of 4-(((Dichlorofluoromethyl)thio)(trifluoromethyl)amino)benzoic acid is 336.94 g/mol.
Where can I buy 4-(((Dichlorofluoromethyl)thio)(trifluoromethyl)amino)benzoic acid?
You can request a quote for 4-(((Dichlorofluoromethyl)thio)(trifluoromethyl)amino)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(((Dichlorofluoromethyl)thio)(trifluoromethyl)amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(((Dichlorofluoromethyl)thio)(trifluoromethyl)amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.