Benzenepropanoic acid, 5-chloro-2-(methyl(3-(trifluoromethyl)benzoyl)amino)-
TL;DR: Benzenepropanoic acid, 5-chloro-2-(methyl(3-(trifluoromethyl)benzoyl)amino)- (CAS 72503-07-2) is a chemical compound with molecular formula C18H15ClF3NO3 and molecular weight 385.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-chloro-2-[methyl-[3-(trifluoromethyl)benzoyl]amino]phenyl]propanoic acid
Also Known As: Benzenepropanoic acid, 5-chloro-2-(methyl(3-(trifluoromethyl)benzoyl)amino)-, 5-Chloro-2-(methyl(3-(trifluoromethyl)benzoyl)amino)benzenepropanoic acid, 3-{5-Chloro-2-[N-methyl-3-(trifluoromethyl)benzamido]phenyl}propanoic acid, 3-[5-chloro-2-[methyl-[3-(trifluoromethyl)benzoyl]amino]phenyl]propanoic acid, RefChem:325142
| Molecular Formula | C18H15ClF3NO3 |
|---|---|
| Molecular Weight | 385.07 g/mol |
| LogP | 4.6526 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 385.06924 |
| Heavy Atoms | 26 |
| Complexity | 836.6713 |
Chemical Identifiers
| CAS Number | 72503-07-2 |
|---|---|
| SMILES | CN(C1=C(C=C(C=C1)Cl)CCC(=O)O)C(=O)C2=CC(=CC=C2)C(F)(F)F |
Product Overview
Benzenepropanoic acid, 5-chloro-2-(methyl(3-(trifluoromethyl)benzoyl)amino)- (CAS 72503-07-2), with molecular formula C18H15ClF3NO3 and molecular weight 385.07 g/mol. IUPAC: 3-[5-chloro-2-[methyl-[3-(trifluoromethyl)benzoyl]amino]phenyl]propanoic acid.
Chemical Property Profile of Benzenepropanoic acid, 5-chloro-2-(methyl(3-(trifluoromethyl)benzoyl)amino)-
Property Insights of Benzenepropanoic acid, 5-chloro-2-(methyl(3-(trifluoromethyl)benzoyl)amino)-
The XLogP value of 4.6526 indicates that Benzenepropanoic acid, 5-chloro-2-(methyl(3-(trifluoromethyl)benzoyl)amino)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.61 Ų, Benzenepropanoic acid, 5-chloro-2-(methyl(3-(trifluoromethyl)benzoyl)amino)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenepropanoic acid, 5-chloro-2-(methyl(3-(trifluoromethyl)benzoyl)amino)- has 1 hydrogen bond donor(s) and 2 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 Benzenepropanoic acid, 5-chloro-2-(methyl(3-(trifluoromethyl)benzoyl)amino)-?
The CAS number of Benzenepropanoic acid, 5-chloro-2-(methyl(3-(trifluoromethyl)benzoyl)amino)- is 72503-07-2.
What is the molecular formula of Benzenepropanoic acid, 5-chloro-2-(methyl(3-(trifluoromethyl)benzoyl)amino)-?
The molecular formula of Benzenepropanoic acid, 5-chloro-2-(methyl(3-(trifluoromethyl)benzoyl)amino)- is C18H15ClF3NO3.
What is the molecular weight of Benzenepropanoic acid, 5-chloro-2-(methyl(3-(trifluoromethyl)benzoyl)amino)-?
The molecular weight of Benzenepropanoic acid, 5-chloro-2-(methyl(3-(trifluoromethyl)benzoyl)amino)- is 385.07 g/mol.
Where can I buy Benzenepropanoic acid, 5-chloro-2-(methyl(3-(trifluoromethyl)benzoyl)amino)-?
You can request a quote for Benzenepropanoic acid, 5-chloro-2-(methyl(3-(trifluoromethyl)benzoyl)amino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenepropanoic acid, 5-chloro-2-(methyl(3-(trifluoromethyl)benzoyl)amino)-?
Yes, KEHONG BIO provides custom synthesis services for Benzenepropanoic acid, 5-chloro-2-(methyl(3-(trifluoromethyl)benzoyl)amino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.