![4-{[(2-Chloroethyl)carbamoyl]amino}benzoic acid structure](/static/products/1390/13908-46-8.webp)
4-{[(2-Chloroethyl)carbamoyl]amino}benzoic acid
TL;DR: 4-{[(2-Chloroethyl)carbamoyl]amino}benzoic acid (CAS 13908-46-8) is a chemical compound with molecular formula C10H11ClN2O3 and molecular weight 242.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-chloroethylcarbamoylamino)benzoic acid
Also Known As: NCIOpen2_005511, 4-(3-(2-chloroethyl)ureido)benzoic acid, 4-(2-chloroethylcarbamoylamino)benzoic acid, 4-({[(2-chloroethyl)amino]carbonyl}amino)benzoic acid, 4-{[(2-chloroethyl)carbamoyl]amino}benzoic acid
| Molecular Formula | C10H11ClN2O3 |
|---|---|
| Molecular Weight | 242.05 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 78.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 242.04582 |
| Heavy Atoms | 16 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 13908-46-8 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)O)NC(=O)NCCCl |
| InChIKey | QXPXBJOWVUHUCM-UHFFFAOYSA-N |
Product Overview
4-{[(2-Chloroethyl)carbamoyl]amino}benzoic acid (CAS 13908-46-8), with molecular formula C10H11ClN2O3 and molecular weight 242.05 g/mol. IUPAC: 4-(2-chloroethylcarbamoylamino)benzoic acid.
Chemical Property Profile of 4-{[(2-Chloroethyl)carbamoyl]amino}benzoic acid
Property Insights of 4-{[(2-Chloroethyl)carbamoyl]amino}benzoic acid
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{[(2-Chloroethyl)carbamoyl]amino}benzoic acid. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[(2-Chloroethyl)carbamoyl]amino}benzoic acid. Following Lipinski's Rule of Five, 4-{[(2-Chloroethyl)carbamoyl]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-{[(2-Chloroethyl)carbamoyl]amino}benzoic acid?
The CAS number of 4-{[(2-Chloroethyl)carbamoyl]amino}benzoic acid is 13908-46-8.
What is the molecular formula of 4-{[(2-Chloroethyl)carbamoyl]amino}benzoic acid?
The molecular formula of 4-{[(2-Chloroethyl)carbamoyl]amino}benzoic acid is C10H11ClN2O3.
What is the molecular weight of 4-{[(2-Chloroethyl)carbamoyl]amino}benzoic acid?
The molecular weight of 4-{[(2-Chloroethyl)carbamoyl]amino}benzoic acid is 242.05 g/mol.
Where can I buy 4-{[(2-Chloroethyl)carbamoyl]amino}benzoic acid?
You can request a quote for 4-{[(2-Chloroethyl)carbamoyl]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-{[(2-Chloroethyl)carbamoyl]amino}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{[(2-Chloroethyl)carbamoyl]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.