![2-[(2,4-Dinitrophenyl)amino]-3-sulfopropanoic acid structure](/static/products/811/81187-95-3.png)
2-[(2,4-Dinitrophenyl)amino]-3-sulfopropanoic acid
TL;DR: 2-[(2,4-Dinitrophenyl)amino]-3-sulfopropanoic acid (CAS 81187-95-3) is a chemical compound with molecular formula C9H9N3O9S and molecular weight 335.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,4-dinitroanilino)-3-sulfopropanoic acid
Also Known As: DNP-Cysteic acid sodium salt, DNP-Cysteic acid (*sodium salt*), 2-[(2,4-dinitrophenyl)amino]-3-sulfopropanoic acid, 2-(2,4-dinitroanilino)-3-sulfopropanoic acid, DNP-L-CYSTEIC ACID SODIUM SALT
| Molecular Formula | C9H9N3O9S |
|---|---|
| Molecular Weight | 335.01 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 204.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 335.00595 |
| Heavy Atoms | 22 |
| Complexity | 546.0 |
Chemical Identifiers
| CAS Number | 81187-95-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NC(CS(=O)(=O)O)C(=O)O |
| InChIKey | ZLEWNRPPGPGZJT-UHFFFAOYSA-N |
Product Overview
2-[(2,4-Dinitrophenyl)amino]-3-sulfopropanoic acid (CAS 81187-95-3), with molecular formula C9H9N3O9S and molecular weight 335.01 g/mol. IUPAC: 2-(2,4-dinitroanilino)-3-sulfopropanoic acid.
Chemical Property Profile of 2-[(2,4-Dinitrophenyl)amino]-3-sulfopropanoic acid
Property Insights of 2-[(2,4-Dinitrophenyl)amino]-3-sulfopropanoic acid
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(2,4-Dinitrophenyl)amino]-3-sulfopropanoic acid. The TPSA of 204.0 Ų indicates high polarity, suggesting 2-[(2,4-Dinitrophenyl)amino]-3-sulfopropanoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-[(2,4-Dinitrophenyl)amino]-3-sulfopropanoic acid has 3 hydrogen bond donor(s) and 10 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-[(2,4-Dinitrophenyl)amino]-3-sulfopropanoic acid?
The CAS number of 2-[(2,4-Dinitrophenyl)amino]-3-sulfopropanoic acid is 81187-95-3.
What is the molecular formula of 2-[(2,4-Dinitrophenyl)amino]-3-sulfopropanoic acid?
The molecular formula of 2-[(2,4-Dinitrophenyl)amino]-3-sulfopropanoic acid is C9H9N3O9S.
What is the molecular weight of 2-[(2,4-Dinitrophenyl)amino]-3-sulfopropanoic acid?
The molecular weight of 2-[(2,4-Dinitrophenyl)amino]-3-sulfopropanoic acid is 335.01 g/mol.
Where can I buy 2-[(2,4-Dinitrophenyl)amino]-3-sulfopropanoic acid?
You can request a quote for 2-[(2,4-Dinitrophenyl)amino]-3-sulfopropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(2,4-Dinitrophenyl)amino]-3-sulfopropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2,4-Dinitrophenyl)amino]-3-sulfopropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.