![3-({[3-(Acetyloxy)phenyl]carbonyl}amino)-2-methylbenzoic acid structure](/static/products/4043/404371-65-9.webp)
3-({[3-(Acetyloxy)phenyl]carbonyl}amino)-2-methylbenzoic acid
TL;DR: 3-({[3-(Acetyloxy)phenyl]carbonyl}amino)-2-methylbenzoic acid (CAS 404371-65-9) is a chemical compound with molecular formula C17H15NO5 and molecular weight 313.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3-acetyloxybenzoyl)amino]-2-methylbenzoic acid
Also Known As: 3-(3-acetoxybenzamido)-2-methylbenzoic acid, 3-[(3-acetyloxybenzoyl)amino]-2-methylbenzoic acid, 3-[(3-acetyloxybenzoyl)amino]-2-methyl-benzoic Acid, 3-({[3-(acetyloxy)phenyl]carbonyl}amino)-2-methylbenzoic acid, 3-[(3-acetyloxyphenyl)carbonylamino]-2-methylbenzoic acid
| Molecular Formula | C17H15NO5 |
|---|---|
| Molecular Weight | 313.10 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 313.09503 |
| Heavy Atoms | 23 |
| Complexity | 464.0 |
Chemical Identifiers
| CAS Number | 404371-65-9 |
|---|---|
| SMILES | CC1=C(C=CC=C1NC(=O)C2=CC(=CC=C2)OC(=O)C)C(=O)O |
| InChIKey | YEFYFPNOLAFIAJ-UHFFFAOYSA-N |
Product Overview
3-({[3-(Acetyloxy)phenyl]carbonyl}amino)-2-methylbenzoic acid (CAS 404371-65-9), with molecular formula C17H15NO5 and molecular weight 313.10 g/mol. IUPAC: 3-[(3-acetyloxybenzoyl)amino]-2-methylbenzoic acid.
Chemical Property Profile of 3-({[3-(Acetyloxy)phenyl]carbonyl}amino)-2-methylbenzoic acid
Property Insights of 3-({[3-(Acetyloxy)phenyl]carbonyl}amino)-2-methylbenzoic acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-({[3-(Acetyloxy)phenyl]carbonyl}amino)-2-methylbenzoic acid. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-({[3-(Acetyloxy)phenyl]carbonyl}amino)-2-methylbenzoic acid. Following Lipinski's Rule of Five, 3-({[3-(Acetyloxy)phenyl]carbonyl}amino)-2-methylbenzoic acid has 2 hydrogen bond donor(s) and 5 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-({[3-(Acetyloxy)phenyl]carbonyl}amino)-2-methylbenzoic acid?
The CAS number of 3-({[3-(Acetyloxy)phenyl]carbonyl}amino)-2-methylbenzoic acid is 404371-65-9.
What is the molecular formula of 3-({[3-(Acetyloxy)phenyl]carbonyl}amino)-2-methylbenzoic acid?
The molecular formula of 3-({[3-(Acetyloxy)phenyl]carbonyl}amino)-2-methylbenzoic acid is C17H15NO5.
What is the molecular weight of 3-({[3-(Acetyloxy)phenyl]carbonyl}amino)-2-methylbenzoic acid?
The molecular weight of 3-({[3-(Acetyloxy)phenyl]carbonyl}amino)-2-methylbenzoic acid is 313.10 g/mol.
Where can I buy 3-({[3-(Acetyloxy)phenyl]carbonyl}amino)-2-methylbenzoic acid?
You can request a quote for 3-({[3-(Acetyloxy)phenyl]carbonyl}amino)-2-methylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-({[3-(Acetyloxy)phenyl]carbonyl}amino)-2-methylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-({[3-(Acetyloxy)phenyl]carbonyl}amino)-2-methylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.