4-Chlorophenylmercapturic acid
TL;DR: 4-Chlorophenylmercapturic acid (CAS 21462-48-6) is a chemical compound with molecular formula C11H12ClNO3S and molecular weight 273.02264 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R)-2-acetamido-3-(4-chlorophenyl)sulfanylpropanoic acid
Also Known As: 4-Chlorophenylmercapturic acid, n-acetyl-s-(4-chlorophenyl)-l-cysteine, S-(p-chlorophenyl) acetylcysteine, L-Cysteine, N-acetyl-S-(4-chlorophenyl)-, N-acetyl-S-(4-chloro-phenyl)-L-cysteine
Technical Specifications
| Molecular Formula | C11H12ClNO3S |
| Molecular Weight | 273.02264 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 273.02264 Da |
| Heavy Atoms | 17 |
| Complexity | 280.0 |
| SMILES | CC(=O)N[C@@H](CSC1=CC=C(C=C1)Cl)C(=O)O |
| InChIKey | NYIHHVVSWNGRAJ-JTQLQIEISA-N |
Chemical Property Profile of 4-Chlorophenylmercapturic acid
Property Insights of 4-Chlorophenylmercapturic acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chlorophenylmercapturic acid. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chlorophenylmercapturic acid. Following Lipinski's Rule of Five, 4-Chlorophenylmercapturic acid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Chlorophenylmercapturic acid?
The CAS number of 4-Chlorophenylmercapturic acid is 21462-48-6.
What is the molecular formula of 4-Chlorophenylmercapturic acid?
The molecular formula of 4-Chlorophenylmercapturic acid is C11H12ClNO3S.
What is the molecular weight of 4-Chlorophenylmercapturic acid?
The molecular weight of 4-Chlorophenylmercapturic acid is 273.02264 g/mol.
Where can I buy 4-Chlorophenylmercapturic acid?
You can request a quote for 4-Chlorophenylmercapturic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Chlorophenylmercapturic acid?
Yes, CoreyChem provides custom synthesis services for 4-Chlorophenylmercapturic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.