![[(4-{[(2-Chloroethyl)(nitroso)carbamoyl]amino}phenyl)sulfanyl]acetic acid structure](/static/products/1633/16332-95-9.webp)
[(4-{[(2-Chloroethyl)(nitroso)carbamoyl]amino}phenyl)sulfanyl]acetic acid
TL;DR: [(4-{[(2-Chloroethyl)(nitroso)carbamoyl]amino}phenyl)sulfanyl]acetic acid (CAS 16332-95-9) is a chemical compound with molecular formula C11H12ClN3O4S and molecular weight 317.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[[2-chloroethyl(nitroso)carbamoyl]amino]phenyl]sulfanylacetic acid
Also Known As: KST-1A1865, [(4-{[(2-chloroethyl)(nitroso)carbamoyl]amino}phenyl)sulfanyl]acetic acid, Acetic acid, [[p-[3-(2-chloroethyl)-3-nitrosoureido]phenyl]thio]-, 2-[4-[[2-chloroethyl(nitroso)carbamoyl]amino]phenyl]sulfanyl, Acetic acid, [p-[3-(2-chloroethyl)-3-nitrosoureido]phenylthio]-
| Molecular Formula | C11H12ClN3O4S |
|---|---|
| Molecular Weight | 317.02 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 317.0237 |
| Heavy Atoms | 20 |
| Complexity | 351.0 |
Chemical Identifiers
| CAS Number | 16332-95-9 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)N(CCCl)N=O)SCC(=O)O |
| InChIKey | HDWAURNNJRJXQP-UHFFFAOYSA-N |
Product Overview
[(4-{[(2-Chloroethyl)(nitroso)carbamoyl]amino}phenyl)sulfanyl]acetic acid (CAS 16332-95-9), with molecular formula C11H12ClN3O4S and molecular weight 317.02 g/mol. IUPAC: 2-[4-[[2-chloroethyl(nitroso)carbamoyl]amino]phenyl]sulfanylacetic acid.
Chemical Property Profile of [(4-{[(2-Chloroethyl)(nitroso)carbamoyl]amino}phenyl)sulfanyl]acetic acid
Property Insights of [(4-{[(2-Chloroethyl)(nitroso)carbamoyl]amino}phenyl)sulfanyl]acetic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(4-{[(2-Chloroethyl)(nitroso)carbamoyl]amino}phenyl)sulfanyl]acetic acid. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [(4-{[(2-Chloroethyl)(nitroso)carbamoyl]amino}phenyl)sulfanyl]acetic acid. Following Lipinski's Rule of Five, [(4-{[(2-Chloroethyl)(nitroso)carbamoyl]amino}phenyl)sulfanyl]acetic acid has 2 hydrogen bond donor(s) and 6 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)(nitroso)carbamoyl]amino}phenyl)sulfanyl]acetic acid?
The CAS number of [(4-{[(2-Chloroethyl)(nitroso)carbamoyl]amino}phenyl)sulfanyl]acetic acid is 16332-95-9.
What is the molecular formula of [(4-{[(2-Chloroethyl)(nitroso)carbamoyl]amino}phenyl)sulfanyl]acetic acid?
The molecular formula of [(4-{[(2-Chloroethyl)(nitroso)carbamoyl]amino}phenyl)sulfanyl]acetic acid is C11H12ClN3O4S.
What is the molecular weight of [(4-{[(2-Chloroethyl)(nitroso)carbamoyl]amino}phenyl)sulfanyl]acetic acid?
The molecular weight of [(4-{[(2-Chloroethyl)(nitroso)carbamoyl]amino}phenyl)sulfanyl]acetic acid is 317.02 g/mol.
Where can I buy [(4-{[(2-Chloroethyl)(nitroso)carbamoyl]amino}phenyl)sulfanyl]acetic acid?
You can request a quote for [(4-{[(2-Chloroethyl)(nitroso)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)(nitroso)carbamoyl]amino}phenyl)sulfanyl]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for [(4-{[(2-Chloroethyl)(nitroso)carbamoyl]amino}phenyl)sulfanyl]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.