s-(4-Nitrobenzyl)cysteine
TL;DR: s-(4-Nitrobenzyl)cysteine (CAS 72236-72-7) is a chemical compound with molecular formula C10H12N2O4S and molecular weight 256.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-3-[(4-nitrophenyl)methylsulfanyl]propanoic acid
Also Known As: s-(4-nitrobenzyl)cysteine, S-[(4-Nitrophenyl)methyl]cysteine, Alanine, 3-[(p-nitrobenzyl)thio]-, 2-amino-3-[(4-nitrophenyl)methylsulfanyl]propanoic acid
| Molecular Formula | C10H12N2O4S |
|---|---|
| Molecular Weight | 256.05 g/mol |
| LogP | -1.4 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 256.0518 |
| Heavy Atoms | 17 |
| Complexity | 274.0 |
Chemical Identifiers
| CAS Number | 72236-72-7 |
|---|---|
| SMILES | C1=CC(=CC=C1CSCC(C(=O)O)N)[N+](=O)[O-] |
| InChIKey | CPTBAJDVGFBNAK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
s-(4-Nitrobenzyl)cysteine (CAS 72236-72-7), with molecular formula C10H12N2O4S and molecular weight 256.05 g/mol. IUPAC: 2-amino-3-[(4-nitrophenyl)methylsulfanyl]propanoic acid.
Chemical Property Profile of s-(4-Nitrobenzyl)cysteine
Property Insights of s-(4-Nitrobenzyl)cysteine
The XLogP value of -1.4 indicates that s-(4-Nitrobenzyl)cysteine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for s-(4-Nitrobenzyl)cysteine. Following Lipinski's Rule of Five, s-(4-Nitrobenzyl)cysteine 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 s-(4-Nitrobenzyl)cysteine?
The CAS number of s-(4-Nitrobenzyl)cysteine is 72236-72-7.
What is the molecular formula of s-(4-Nitrobenzyl)cysteine?
The molecular formula of s-(4-Nitrobenzyl)cysteine is C10H12N2O4S.
What is the molecular weight of s-(4-Nitrobenzyl)cysteine?
The molecular weight of s-(4-Nitrobenzyl)cysteine is 256.05 g/mol.
Where can I buy s-(4-Nitrobenzyl)cysteine?
You can request a quote for s-(4-Nitrobenzyl)cysteine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for s-(4-Nitrobenzyl)cysteine?
Yes, KEHONG BIO provides custom synthesis services for s-(4-Nitrobenzyl)cysteine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.