![3-{[(2-Chloroethyl)carbamoyl]amino}benzoic acid structure](/static/products/1390/13908-45-7.webp)
3-{[(2-Chloroethyl)carbamoyl]amino}benzoic acid
TL;DR: 3-{[(2-Chloroethyl)carbamoyl]amino}benzoic acid (CAS 13908-45-7) 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.
3-(2-chloroethylcarbamoylamino)benzoic acid
Also Known As: 3-{[(2-chloroethyl)carbamoyl]amino}benzoic acid, 3-[3-(2-chloroethyl)ureido]benzoic acid, 3-(2-chloroethylcarbamoylamino)benzoic acid, Benzoic acid, m-[3-(2-chloroethyl)ureido]-, Benzoic acid,3-[[[(2-chloroethyl)amino]carbonyl]amino]-
| 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 | 260.0 |
Chemical Identifiers
| CAS Number | 13908-45-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC(=O)NCCCl)C(=O)O |
| InChIKey | SSRMHTGBJOCURP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-{[(2-Chloroethyl)carbamoyl]amino}benzoic acid (CAS 13908-45-7), with molecular formula C10H11ClN2O3 and molecular weight 242.05 g/mol. IUPAC: 3-(2-chloroethylcarbamoylamino)benzoic acid.
Chemical Property Profile of 3-{[(2-Chloroethyl)carbamoyl]amino}benzoic acid
Property Insights of 3-{[(2-Chloroethyl)carbamoyl]amino}benzoic acid
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{[(2-Chloroethyl)carbamoyl]amino}benzoic acid. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[(2-Chloroethyl)carbamoyl]amino}benzoic acid. Following Lipinski's Rule of Five, 3-{[(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 3-{[(2-Chloroethyl)carbamoyl]amino}benzoic acid?
The CAS number of 3-{[(2-Chloroethyl)carbamoyl]amino}benzoic acid is 13908-45-7.
What is the molecular formula of 3-{[(2-Chloroethyl)carbamoyl]amino}benzoic acid?
The molecular formula of 3-{[(2-Chloroethyl)carbamoyl]amino}benzoic acid is C10H11ClN2O3.
What is the molecular weight of 3-{[(2-Chloroethyl)carbamoyl]amino}benzoic acid?
The molecular weight of 3-{[(2-Chloroethyl)carbamoyl]amino}benzoic acid is 242.05 g/mol.
Where can I buy 3-{[(2-Chloroethyl)carbamoyl]amino}benzoic acid?
You can request a quote for 3-{[(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 3-{[(2-Chloroethyl)carbamoyl]amino}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{[(2-Chloroethyl)carbamoyl]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.