2-((3,5-Dimethylanilino)carbonyl)benzoic acid
TL;DR: 2-((3,5-Dimethylanilino)carbonyl)benzoic acid (CAS 69076-57-9) is a chemical compound with molecular formula C16H15NO3 and molecular weight 269.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3,5-dimethylphenyl)carbamoyl]benzoic acid
Also Known As: TimTec1_003052, 2-[(3,5-dimethylphenyl)carbamoyl]benzoic acid, 2-((3,5-DIMETHYLANILINO)CARBONYL)BENZOIC ACID, 2-[(3,5-Dimethylanilino)carbonyl]benzoic acid, 2-[N-(3,5-dimethylphenyl)carbamoyl]benzoic acid
| Molecular Formula | C16H15NO3 |
|---|---|
| Molecular Weight | 269.11 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 269.1052 |
| Heavy Atoms | 20 |
| Complexity | 359.0 |
Chemical Identifiers
| CAS Number | 69076-57-9 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)NC(=O)C2=CC=CC=C2C(=O)O)C |
| InChIKey | FHJIPYNBUZLPGS-UHFFFAOYSA-N |
Product Overview
2-((3,5-Dimethylanilino)carbonyl)benzoic acid (CAS 69076-57-9), with molecular formula C16H15NO3 and molecular weight 269.11 g/mol. IUPAC: 2-[(3,5-dimethylphenyl)carbamoyl]benzoic acid.
Chemical Property Profile of 2-((3,5-Dimethylanilino)carbonyl)benzoic acid
Property Insights of 2-((3,5-Dimethylanilino)carbonyl)benzoic acid
The XLogP value of 3.0 indicates that 2-((3,5-Dimethylanilino)carbonyl)benzoic acid 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 2-((3,5-Dimethylanilino)carbonyl)benzoic acid. Following Lipinski's Rule of Five, 2-((3,5-Dimethylanilino)carbonyl)benzoic acid has 2 hydrogen bond donor(s) and 3 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-((3,5-Dimethylanilino)carbonyl)benzoic acid?
The CAS number of 2-((3,5-Dimethylanilino)carbonyl)benzoic acid is 69076-57-9.
What is the molecular formula of 2-((3,5-Dimethylanilino)carbonyl)benzoic acid?
The molecular formula of 2-((3,5-Dimethylanilino)carbonyl)benzoic acid is C16H15NO3.
What is the molecular weight of 2-((3,5-Dimethylanilino)carbonyl)benzoic acid?
The molecular weight of 2-((3,5-Dimethylanilino)carbonyl)benzoic acid is 269.11 g/mol.
Where can I buy 2-((3,5-Dimethylanilino)carbonyl)benzoic acid?
You can request a quote for 2-((3,5-Dimethylanilino)carbonyl)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-((3,5-Dimethylanilino)carbonyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((3,5-Dimethylanilino)carbonyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.