![[(4-{[(2-Chloroethyl)carbamoyl]amino}phenyl)sulfanyl]acetic acid structure](/static/products/1626/16260-48-3.webp)
[(4-{[(2-Chloroethyl)carbamoyl]amino}phenyl)sulfanyl]acetic acid
TL;DR: [(4-{[(2-Chloroethyl)carbamoyl]amino}phenyl)sulfanyl]acetic acid (CAS 16260-48-3) is a chemical compound with molecular formula C11H13ClN2O3S and molecular weight 288.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(2-chloroethylcarbamoylamino)phenyl]sulfanylacetic acid
Also Known As: KST-1A1857, [(4-{[(2-chloroethyl)carbamoyl]amino}phenyl)sulfanyl]acetic acid, 2-[4-(2-chloroethylcarbamoylamino)phenyl]sulfanylacetic acid, Aceticacid, 2-[[4-[[[(2-chloroethyl)amino]carbonyl]amino]phenyl]thio]-
| Molecular Formula | C11H13ClN2O3S |
|---|---|
| Molecular Weight | 288.03 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 288.03354 |
| Heavy Atoms | 18 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 16260-48-3 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)NCCCl)SCC(=O)O |
| InChIKey | WBGHNASQTYDLBR-UHFFFAOYSA-N |
Product Overview
[(4-{[(2-Chloroethyl)carbamoyl]amino}phenyl)sulfanyl]acetic acid (CAS 16260-48-3), with molecular formula C11H13ClN2O3S and molecular weight 288.03 g/mol. IUPAC: 2-[4-(2-chloroethylcarbamoylamino)phenyl]sulfanylacetic acid.
Chemical Property Profile of [(4-{[(2-Chloroethyl)carbamoyl]amino}phenyl)sulfanyl]acetic acid
Property Insights of [(4-{[(2-Chloroethyl)carbamoyl]amino}phenyl)sulfanyl]acetic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(4-{[(2-Chloroethyl)carbamoyl]amino}phenyl)sulfanyl]acetic acid. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [(4-{[(2-Chloroethyl)carbamoyl]amino}phenyl)sulfanyl]acetic acid. Following Lipinski's Rule of Five, [(4-{[(2-Chloroethyl)carbamoyl]amino}phenyl)sulfanyl]acetic acid has 3 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-Chloroethyl)carbamoyl]amino}phenyl)sulfanyl]acetic acid?
The CAS number of [(4-{[(2-Chloroethyl)carbamoyl]amino}phenyl)sulfanyl]acetic acid is 16260-48-3.
What is the molecular formula of [(4-{[(2-Chloroethyl)carbamoyl]amino}phenyl)sulfanyl]acetic acid?
The molecular formula of [(4-{[(2-Chloroethyl)carbamoyl]amino}phenyl)sulfanyl]acetic acid is C11H13ClN2O3S.
What is the molecular weight of [(4-{[(2-Chloroethyl)carbamoyl]amino}phenyl)sulfanyl]acetic acid?
The molecular weight of [(4-{[(2-Chloroethyl)carbamoyl]amino}phenyl)sulfanyl]acetic acid is 288.03 g/mol.
Where can I buy [(4-{[(2-Chloroethyl)carbamoyl]amino}phenyl)sulfanyl]acetic acid?
You can request a quote for [(4-{[(2-Chloroethyl)carbamoyl]amino}phenyl)sulfanyl]acetic 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}phenyl)sulfanyl]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for [(4-{[(2-Chloroethyl)carbamoyl]amino}phenyl)sulfanyl]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.