![4-[(Methylcarbamoyl)amino]benzoic acid structure](/static/products/5405/54057-66-8.webp)
4-[(Methylcarbamoyl)amino]benzoic acid
TL;DR: 4-[(Methylcarbamoyl)amino]benzoic acid (CAS 54057-66-8) is a chemical compound with molecular formula C9H10N2O3 and molecular weight 194.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(methylcarbamoylamino)benzoic acid
Also Known As: 4-[(methylcarbamoyl)amino]benzoic acid, 4-(3-methylureido)benzoic acid, 4-(methylcarbamoylamino)benzoic acid, starbld0045455, 4-(3-Methyl-ureido)-benzoic acid
| Molecular Formula | C9H10N2O3 |
|---|---|
| Molecular Weight | 194.07 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 78.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.06914 |
| Heavy Atoms | 14 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 54057-66-8 |
|---|---|
| SMILES | CNC(=O)NC1=CC=C(C=C1)C(=O)O |
| InChIKey | WSOMAKYZWNPMKC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-[(Methylcarbamoyl)amino]benzoic acid (CAS 54057-66-8), with molecular formula C9H10N2O3 and molecular weight 194.07 g/mol. IUPAC: 4-(methylcarbamoylamino)benzoic acid.
Chemical Property Profile of 4-[(Methylcarbamoyl)amino]benzoic acid
Property Insights of 4-[(Methylcarbamoyl)amino]benzoic acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(Methylcarbamoyl)amino]benzoic acid. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(Methylcarbamoyl)amino]benzoic acid. Following Lipinski's Rule of Five, 4-[(Methylcarbamoyl)amino]benzoic acid has 3 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 4-[(Methylcarbamoyl)amino]benzoic acid?
The CAS number of 4-[(Methylcarbamoyl)amino]benzoic acid is 54057-66-8.
What is the molecular formula of 4-[(Methylcarbamoyl)amino]benzoic acid?
The molecular formula of 4-[(Methylcarbamoyl)amino]benzoic acid is C9H10N2O3.
What is the molecular weight of 4-[(Methylcarbamoyl)amino]benzoic acid?
The molecular weight of 4-[(Methylcarbamoyl)amino]benzoic acid is 194.07 g/mol.
Where can I buy 4-[(Methylcarbamoyl)amino]benzoic acid?
You can request a quote for 4-[(Methylcarbamoyl)amino]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(Methylcarbamoyl)amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(Methylcarbamoyl)amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.