![2-[[[4-(Methoxycarbonyl)phenyl]amino]carbonyl]benzoic acid structure](/static/products/5349/53498-53-6.webp)
2-[[[4-(Methoxycarbonyl)phenyl]amino]carbonyl]benzoic acid
TL;DR: 2-[[[4-(Methoxycarbonyl)phenyl]amino]carbonyl]benzoic acid (CAS 53498-53-6) is a chemical compound with molecular formula C16H13NO5 and molecular weight 299.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methoxycarbonylphenyl)carbamoyl]benzoic acid
Also Known As: 2-[[[4-(Methoxycarbonyl)phenyl]amino]carbonyl]benzoic acid, 2-[(4-methoxycarbonylphenyl)carbamoyl]benzoic acid, 2-({[4-(methoxycarbonyl)phenyl]amino}carbonyl)benzoic acid, 2-{N-[4-(methoxycarbonyl)phenyl]carbamoyl}benzoic acid, 2-{[4-(METHOXYCARBONYL)PHENYL]CARBAMOYL}BENZOIC ACID
| Molecular Formula | C16H13NO5 |
|---|---|
| Molecular Weight | 299.08 g/mol |
| LogP | 2.4237 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 299.07938 |
| Heavy Atoms | 22 |
| Complexity | 721.571 |
Chemical Identifiers
| CAS Number | 53498-53-6 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2C(=O)O |
Product Overview
2-[[[4-(Methoxycarbonyl)phenyl]amino]carbonyl]benzoic acid (CAS 53498-53-6), with molecular formula C16H13NO5 and molecular weight 299.08 g/mol. IUPAC: 2-[(4-methoxycarbonylphenyl)carbamoyl]benzoic acid.
Chemical Property Profile of 2-[[[4-(Methoxycarbonyl)phenyl]amino]carbonyl]benzoic acid
Property Insights of 2-[[[4-(Methoxycarbonyl)phenyl]amino]carbonyl]benzoic acid
The XLogP value of 2.4237 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[[[4-(Methoxycarbonyl)phenyl]amino]carbonyl]benzoic acid. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[[4-(Methoxycarbonyl)phenyl]amino]carbonyl]benzoic acid. Following Lipinski's Rule of Five, 2-[[[4-(Methoxycarbonyl)phenyl]amino]carbonyl]benzoic acid has 2 hydrogen bond donor(s) and 4 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-[[[4-(Methoxycarbonyl)phenyl]amino]carbonyl]benzoic acid?
The CAS number of 2-[[[4-(Methoxycarbonyl)phenyl]amino]carbonyl]benzoic acid is 53498-53-6.
What is the molecular formula of 2-[[[4-(Methoxycarbonyl)phenyl]amino]carbonyl]benzoic acid?
The molecular formula of 2-[[[4-(Methoxycarbonyl)phenyl]amino]carbonyl]benzoic acid is C16H13NO5.
What is the molecular weight of 2-[[[4-(Methoxycarbonyl)phenyl]amino]carbonyl]benzoic acid?
The molecular weight of 2-[[[4-(Methoxycarbonyl)phenyl]amino]carbonyl]benzoic acid is 299.08 g/mol.
Where can I buy 2-[[[4-(Methoxycarbonyl)phenyl]amino]carbonyl]benzoic acid?
You can request a quote for 2-[[[4-(Methoxycarbonyl)phenyl]amino]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-[[[4-(Methoxycarbonyl)phenyl]amino]carbonyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[[[4-(Methoxycarbonyl)phenyl]amino]carbonyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.