3'-(三氟甲基)邻氨苯甲酸
TL;DR: 3'-(三氟甲基)邻氨苯甲酸 (CAS 16053-36-4) is a chemical compound with molecular formula C15H10F3NO3 and molecular weight 309.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3'-(三氟甲基)邻氨苯甲酸
2-[[3-(trifluoromethyl)phenyl]carbamoyl]benzoic acid
Also Known As: 3'-(Trifluoromethyl)phthalanilic acid, MP 13, Phthalanilic acid, 3'-(trifluoromethyl)-, 2-((3-(trifluoromethyl)phenyl)carbamoyl)benzoic acid, 2-[[3-(trifluoromethyl)phenyl]carbamoyl]benzoic acid
| Molecular Formula | C15H10F3NO3 |
|---|---|
| Molecular Weight | 309.06 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 309.06128 |
| Heavy Atoms | 22 |
| Complexity | 425.0 |
Chemical Identifiers
| CAS Number | 16053-36-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)C(=O)O |
| InChIKey | FFMRPOSNJLCIBB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3'-(三氟甲基)邻氨苯甲酸 (CAS 16053-36-4), with molecular formula C15H10F3NO3 and molecular weight 309.06 g/mol. IUPAC: 2-[[3-(trifluoromethyl)phenyl]carbamoyl]benzoic acid.
Chemical Property Profile of 3'-(三氟甲基)邻氨苯甲酸
Property Insights of 3'-(三氟甲基)邻氨苯甲酸
The XLogP value of 3.2 indicates that 3'-(三氟甲基)邻氨苯甲酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3'-(三氟甲基)邻氨苯甲酸. Following Lipinski's Rule of Five, 3'-(三氟甲基)邻氨苯甲酸 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'-(三氟甲基)邻氨苯甲酸?
The CAS number of 3'-(三氟甲基)邻氨苯甲酸 is 16053-36-4.
What is the molecular formula of 3'-(三氟甲基)邻氨苯甲酸?
The molecular formula of 3'-(三氟甲基)邻氨苯甲酸 is C15H10F3NO3.
What is the molecular weight of 3'-(三氟甲基)邻氨苯甲酸?
The molecular weight of 3'-(三氟甲基)邻氨苯甲酸 is 309.06 g/mol.
Where can I buy 3'-(三氟甲基)邻氨苯甲酸?
You can request a quote for 3'-(三氟甲基)邻氨苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-(三氟甲基)邻氨苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 3'-(三氟甲基)邻氨苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.