![3-{[2-Chloro-5-(trifluoromethyl)phenyl]carbamoyl}propanoic acid structure](/static/products/1998/199803-99-1.webp)
3-{[2-Chloro-5-(trifluoromethyl)phenyl]carbamoyl}propanoic acid
TL;DR: 3-{[2-Chloro-5-(trifluoromethyl)phenyl]carbamoyl}propanoic acid (CAS 199803-99-1) is a chemical compound with molecular formula C11H9ClF3NO3 and molecular weight 295.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-chloro-5-(trifluoromethyl)anilino]-4-oxobutanoic acid
Also Known As: 4-[2-chloro-5-(trifluoromethyl)anilino]-4-oxobutanoic acid, 3-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}propanoic acid, 4-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-4-oxobutanoic acid, 2'-chloro-5'-(trifluoromethyl)succinanilic acid, 4-((2-Chloro-5-(trifluoromethyl)phenyl)amino)-4-oxobutanoic acid
| Molecular Formula | C11H9ClF3NO3 |
|---|---|
| Molecular Weight | 295.02 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 295.0223 |
| Heavy Atoms | 19 |
| Complexity | 349.0 |
Chemical Identifiers
| CAS Number | 199803-99-1 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(F)(F)F)NC(=O)CCC(=O)O)Cl |
| InChIKey | HSXZNNQNKDOXGY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-{[2-Chloro-5-(trifluoromethyl)phenyl]carbamoyl}propanoic acid (CAS 199803-99-1), with molecular formula C11H9ClF3NO3 and molecular weight 295.02 g/mol. IUPAC: 4-[2-chloro-5-(trifluoromethyl)anilino]-4-oxobutanoic acid.
Chemical Property Profile of 3-{[2-Chloro-5-(trifluoromethyl)phenyl]carbamoyl}propanoic acid
Property Insights of 3-{[2-Chloro-5-(trifluoromethyl)phenyl]carbamoyl}propanoic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{[2-Chloro-5-(trifluoromethyl)phenyl]carbamoyl}propanoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[2-Chloro-5-(trifluoromethyl)phenyl]carbamoyl}propanoic acid. Following Lipinski's Rule of Five, 3-{[2-Chloro-5-(trifluoromethyl)phenyl]carbamoyl}propanoic 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 3-{[2-Chloro-5-(trifluoromethyl)phenyl]carbamoyl}propanoic acid?
The CAS number of 3-{[2-Chloro-5-(trifluoromethyl)phenyl]carbamoyl}propanoic acid is 199803-99-1.
What is the molecular formula of 3-{[2-Chloro-5-(trifluoromethyl)phenyl]carbamoyl}propanoic acid?
The molecular formula of 3-{[2-Chloro-5-(trifluoromethyl)phenyl]carbamoyl}propanoic acid is C11H9ClF3NO3.
What is the molecular weight of 3-{[2-Chloro-5-(trifluoromethyl)phenyl]carbamoyl}propanoic acid?
The molecular weight of 3-{[2-Chloro-5-(trifluoromethyl)phenyl]carbamoyl}propanoic acid is 295.02 g/mol.
Where can I buy 3-{[2-Chloro-5-(trifluoromethyl)phenyl]carbamoyl}propanoic acid?
You can request a quote for 3-{[2-Chloro-5-(trifluoromethyl)phenyl]carbamoyl}propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{[2-Chloro-5-(trifluoromethyl)phenyl]carbamoyl}propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{[2-Chloro-5-(trifluoromethyl)phenyl]carbamoyl}propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.