![2-[2-(5-Chloro-2-methylanilino)-2-oxoethyl]sulfanylacetic acid structure](/static/products/4777/4777-53-1.webp)
2-[2-(5-Chloro-2-methylanilino)-2-oxoethyl]sulfanylacetic acid
TL;DR: 2-[2-(5-Chloro-2-methylanilino)-2-oxoethyl]sulfanylacetic acid (CAS 4777-53-1) is a chemical compound with molecular formula C11H12ClNO3S and molecular weight 273.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfanylacetic acid
Also Known As: 2-[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfanylacetic acid, {[2-(5-Chloro-2-methylanilino)-2-oxoethyl]sulfanyl}acetic acid, 2-[(5-chloro-2-methyl-phenyl)carbamoylmethylsulfanyl]acetic Acid
| Molecular Formula | C11H12ClNO3S |
|---|---|
| Molecular Weight | 273.02 g/mol |
| LogP | 2.40472 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 273.02264 |
| Heavy Atoms | 17 |
| Complexity | 436.72476 |
Chemical Identifiers
| CAS Number | 4777-53-1 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)Cl)NC(=O)CSCC(=O)O |
Product Overview
2-[2-(5-Chloro-2-methylanilino)-2-oxoethyl]sulfanylacetic acid (CAS 4777-53-1), with molecular formula C11H12ClNO3S and molecular weight 273.02 g/mol. IUPAC: 2-[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfanylacetic acid.
Chemical Property Profile of 2-[2-(5-Chloro-2-methylanilino)-2-oxoethyl]sulfanylacetic acid
Property Insights of 2-[2-(5-Chloro-2-methylanilino)-2-oxoethyl]sulfanylacetic acid
The XLogP value of 2.40472 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[2-(5-Chloro-2-methylanilino)-2-oxoethyl]sulfanylacetic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[2-(5-Chloro-2-methylanilino)-2-oxoethyl]sulfanylacetic acid. Following Lipinski's Rule of Five, 2-[2-(5-Chloro-2-methylanilino)-2-oxoethyl]sulfanylacetic acid has 2 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 2-[2-(5-Chloro-2-methylanilino)-2-oxoethyl]sulfanylacetic acid?
The CAS number of 2-[2-(5-Chloro-2-methylanilino)-2-oxoethyl]sulfanylacetic acid is 4777-53-1.
What is the molecular formula of 2-[2-(5-Chloro-2-methylanilino)-2-oxoethyl]sulfanylacetic acid?
The molecular formula of 2-[2-(5-Chloro-2-methylanilino)-2-oxoethyl]sulfanylacetic acid is C11H12ClNO3S.
What is the molecular weight of 2-[2-(5-Chloro-2-methylanilino)-2-oxoethyl]sulfanylacetic acid?
The molecular weight of 2-[2-(5-Chloro-2-methylanilino)-2-oxoethyl]sulfanylacetic acid is 273.02 g/mol.
Where can I buy 2-[2-(5-Chloro-2-methylanilino)-2-oxoethyl]sulfanylacetic acid?
You can request a quote for 2-[2-(5-Chloro-2-methylanilino)-2-oxoethyl]sulfanylacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[2-(5-Chloro-2-methylanilino)-2-oxoethyl]sulfanylacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-(5-Chloro-2-methylanilino)-2-oxoethyl]sulfanylacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.