4-(2-Chloroethylcarbamoylamino)-2-hydroxybenzoic acid
TL;DR: 4-(2-Chloroethylcarbamoylamino)-2-hydroxybenzoic acid (CAS 90794-85-7) is a chemical compound with molecular formula C10H11ClN2O4 and molecular weight 258.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-chloroethylcarbamoylamino)-2-hydroxybenzoic acid
Also Known As: 4-(2-chloroethylcarbamoylamino)-2-hydroxybenzoic acid, 4-{[(2-Chloroethyl)carbamoyl]amino}-2-hydroxybenzoic acid
| Molecular Formula | C10H11ClN2O4 |
|---|---|
| Molecular Weight | 258.04 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 98.7 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 258.04074 |
| Heavy Atoms | 17 |
| Complexity | 287.0 |
Chemical Identifiers
| CAS Number | 90794-85-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1NC(=O)NCCCl)O)C(=O)O |
| InChIKey | KQGONCSHKNKREE-UHFFFAOYSA-N |
Product Overview
4-(2-Chloroethylcarbamoylamino)-2-hydroxybenzoic acid (CAS 90794-85-7), with molecular formula C10H11ClN2O4 and molecular weight 258.04 g/mol. IUPAC: 4-(2-chloroethylcarbamoylamino)-2-hydroxybenzoic acid.
Chemical Property Profile of 4-(2-Chloroethylcarbamoylamino)-2-hydroxybenzoic acid
Property Insights of 4-(2-Chloroethylcarbamoylamino)-2-hydroxybenzoic acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-Chloroethylcarbamoylamino)-2-hydroxybenzoic acid. The TPSA of 98.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-Chloroethylcarbamoylamino)-2-hydroxybenzoic acid. Following Lipinski's Rule of Five, 4-(2-Chloroethylcarbamoylamino)-2-hydroxybenzoic acid has 4 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 4-(2-Chloroethylcarbamoylamino)-2-hydroxybenzoic acid?
The CAS number of 4-(2-Chloroethylcarbamoylamino)-2-hydroxybenzoic acid is 90794-85-7.
What is the molecular formula of 4-(2-Chloroethylcarbamoylamino)-2-hydroxybenzoic acid?
The molecular formula of 4-(2-Chloroethylcarbamoylamino)-2-hydroxybenzoic acid is C10H11ClN2O4.
What is the molecular weight of 4-(2-Chloroethylcarbamoylamino)-2-hydroxybenzoic acid?
The molecular weight of 4-(2-Chloroethylcarbamoylamino)-2-hydroxybenzoic acid is 258.04 g/mol.
Where can I buy 4-(2-Chloroethylcarbamoylamino)-2-hydroxybenzoic acid?
You can request a quote for 4-(2-Chloroethylcarbamoylamino)-2-hydroxybenzoic 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-Chloroethylcarbamoylamino)-2-hydroxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Chloroethylcarbamoylamino)-2-hydroxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.