![s-Benzyl-n-[(2-nitrophenyl)sulfanyl]cysteine structure](/static/products/1318/13180-35-3.webp)
s-Benzyl-n-[(2-nitrophenyl)sulfanyl]cysteine
TL;DR: s-Benzyl-n-[(2-nitrophenyl)sulfanyl]cysteine (CAS 13180-35-3) is a chemical compound with molecular formula C16H16N2O4S2 and molecular weight 364.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzylsulfanyl-2-[(2-nitrophenyl)sulfanylamino]propanoic acid
Also Known As: Nps-L-Cys(Bzl)-OH, s-benzyl-n-[(2-nitrophenyl)sulfanyl]cysteine, 3-benzylsulfanyl-2-[(2-nitrophenyl)sulfanylamino]propanoic acid
| Molecular Formula | C16H16N2O4S2 |
|---|---|
| Molecular Weight | 364.06 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 146.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 364.05515 |
| Heavy Atoms | 24 |
| Complexity | 413.0 |
Chemical Identifiers
| CAS Number | 13180-35-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSCC(C(=O)O)NSC2=CC=CC=C2[N+](=O)[O-] |
| InChIKey | SRCCJCWCKMDQMO-UHFFFAOYSA-N |
Product Overview
s-Benzyl-n-[(2-nitrophenyl)sulfanyl]cysteine (CAS 13180-35-3), with molecular formula C16H16N2O4S2 and molecular weight 364.06 g/mol. IUPAC: 3-benzylsulfanyl-2-[(2-nitrophenyl)sulfanylamino]propanoic acid.
Chemical Property Profile of s-Benzyl-n-[(2-nitrophenyl)sulfanyl]cysteine
Property Insights of s-Benzyl-n-[(2-nitrophenyl)sulfanyl]cysteine
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for s-Benzyl-n-[(2-nitrophenyl)sulfanyl]cysteine. The TPSA of 146.0 Ų indicates high polarity, suggesting s-Benzyl-n-[(2-nitrophenyl)sulfanyl]cysteine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, s-Benzyl-n-[(2-nitrophenyl)sulfanyl]cysteine has 2 hydrogen bond donor(s) and 7 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-Benzyl-n-[(2-nitrophenyl)sulfanyl]cysteine?
The CAS number of s-Benzyl-n-[(2-nitrophenyl)sulfanyl]cysteine is 13180-35-3.
What is the molecular formula of s-Benzyl-n-[(2-nitrophenyl)sulfanyl]cysteine?
The molecular formula of s-Benzyl-n-[(2-nitrophenyl)sulfanyl]cysteine is C16H16N2O4S2.
What is the molecular weight of s-Benzyl-n-[(2-nitrophenyl)sulfanyl]cysteine?
The molecular weight of s-Benzyl-n-[(2-nitrophenyl)sulfanyl]cysteine is 364.06 g/mol.
Where can I buy s-Benzyl-n-[(2-nitrophenyl)sulfanyl]cysteine?
You can request a quote for s-Benzyl-n-[(2-nitrophenyl)sulfanyl]cysteine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for s-Benzyl-n-[(2-nitrophenyl)sulfanyl]cysteine?
Yes, KEHONG BIO provides custom synthesis services for s-Benzyl-n-[(2-nitrophenyl)sulfanyl]cysteine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.