(2R)-2-amino-3-(2,4,6-trinitrophenyl)sulfanylpropanoic acid
TL;DR: (2R)-2-amino-3-(2,4,6-trinitrophenyl)sulfanylpropanoic acid (CAS 1037592-02-1) is a chemical compound with molecular formula C9H8N4O8S and molecular weight 332.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-amino-3-(2,4,6-trinitrophenyl)sulfanylpropanoic acid
Also Known As: S-(2,4-dinitrophenyl)-cysteine, S-(2,3,6-TRINITROPHENYL)CYSTEINE, (2R)-2-amino-3-(2,4,6-trinitrophenyl)sulfanylpropanoic acid, TNB
| Molecular Formula | C9H8N4O8S |
|---|---|
| Molecular Weight | 332.01 g/mol |
| LogP | 0.9152 |
| Topological Polar Surface Area | 192.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 332.0063 |
| Heavy Atoms | 22 |
| Complexity | 628.0117 |
Chemical Identifiers
| CAS Number | 1037592-02-1 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])SC[C@@H](C(=O)O)N)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
(2R)-2-amino-3-(2,4,6-trinitrophenyl)sulfanylpropanoic acid (CAS 1037592-02-1), with molecular formula C9H8N4O8S and molecular weight 332.01 g/mol. IUPAC: (2R)-2-amino-3-(2,4,6-trinitrophenyl)sulfanylpropanoic acid.
Chemical Property Profile of (2R)-2-amino-3-(2,4,6-trinitrophenyl)sulfanylpropanoic acid
Property Insights of (2R)-2-amino-3-(2,4,6-trinitrophenyl)sulfanylpropanoic acid
The XLogP value of 0.9152 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2R)-2-amino-3-(2,4,6-trinitrophenyl)sulfanylpropanoic acid. The TPSA of 192.74 Ų indicates high polarity, suggesting (2R)-2-amino-3-(2,4,6-trinitrophenyl)sulfanylpropanoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (2R)-2-amino-3-(2,4,6-trinitrophenyl)sulfanylpropanoic acid has 2 hydrogen bond donor(s) and 9 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 (2R)-2-amino-3-(2,4,6-trinitrophenyl)sulfanylpropanoic acid?
The CAS number of (2R)-2-amino-3-(2,4,6-trinitrophenyl)sulfanylpropanoic acid is 1037592-02-1.
What is the molecular formula of (2R)-2-amino-3-(2,4,6-trinitrophenyl)sulfanylpropanoic acid?
The molecular formula of (2R)-2-amino-3-(2,4,6-trinitrophenyl)sulfanylpropanoic acid is C9H8N4O8S.
What is the molecular weight of (2R)-2-amino-3-(2,4,6-trinitrophenyl)sulfanylpropanoic acid?
The molecular weight of (2R)-2-amino-3-(2,4,6-trinitrophenyl)sulfanylpropanoic acid is 332.01 g/mol.
Where can I buy (2R)-2-amino-3-(2,4,6-trinitrophenyl)sulfanylpropanoic acid?
You can request a quote for (2R)-2-amino-3-(2,4,6-trinitrophenyl)sulfanylpropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2R)-2-amino-3-(2,4,6-trinitrophenyl)sulfanylpropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2R)-2-amino-3-(2,4,6-trinitrophenyl)sulfanylpropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.