3-((2,4-Bis(hydroxy(oxido)amino)phenyl)dithio)propanoic acid
TL;DR: 3-((2,4-Bis(hydroxy(oxido)amino)phenyl)dithio)propanoic acid (CAS 3513-82-4) is a chemical compound with molecular formula C9H8N2O6S2 and molecular weight 303.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2,4-dinitrophenyl)disulfanyl]propanoic acid
Also Known As: 3-[(2,4-dinitrophenyl)disulfanyl]propanoic acid, 3-((2,4-Bis(hydroxy(oxido)amino)phenyl)dithio)propanoic acid, 3-((2,4-dinitrophenyl)disulfanyl)propanoic acid, 5-(3,5-dimethylpyrazol-1-yl)-3-methylsulfanyl-1H-1,2,4-triazole
| Molecular Formula | C9H8N2O6S2 |
|---|---|
| Molecular Weight | 303.98 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 180.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 303.9824 |
| Heavy Atoms | 19 |
| Complexity | 356.0 |
Chemical Identifiers
| CAS Number | 3513-82-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])SSCCC(=O)O |
| InChIKey | IGFLESIBGUALPH-UHFFFAOYSA-N |
Product Overview
3-((2,4-Bis(hydroxy(oxido)amino)phenyl)dithio)propanoic acid (CAS 3513-82-4), with molecular formula C9H8N2O6S2 and molecular weight 303.98 g/mol. IUPAC: 3-[(2,4-dinitrophenyl)disulfanyl]propanoic acid.
Chemical Property Profile of 3-((2,4-Bis(hydroxy(oxido)amino)phenyl)dithio)propanoic acid
Property Insights of 3-((2,4-Bis(hydroxy(oxido)amino)phenyl)dithio)propanoic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((2,4-Bis(hydroxy(oxido)amino)phenyl)dithio)propanoic acid. The TPSA of 180.0 Ų indicates high polarity, suggesting 3-((2,4-Bis(hydroxy(oxido)amino)phenyl)dithio)propanoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-((2,4-Bis(hydroxy(oxido)amino)phenyl)dithio)propanoic acid has 1 hydrogen bond donor(s) and 8 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 3-((2,4-Bis(hydroxy(oxido)amino)phenyl)dithio)propanoic acid?
The CAS number of 3-((2,4-Bis(hydroxy(oxido)amino)phenyl)dithio)propanoic acid is 3513-82-4.
What is the molecular formula of 3-((2,4-Bis(hydroxy(oxido)amino)phenyl)dithio)propanoic acid?
The molecular formula of 3-((2,4-Bis(hydroxy(oxido)amino)phenyl)dithio)propanoic acid is C9H8N2O6S2.
What is the molecular weight of 3-((2,4-Bis(hydroxy(oxido)amino)phenyl)dithio)propanoic acid?
The molecular weight of 3-((2,4-Bis(hydroxy(oxido)amino)phenyl)dithio)propanoic acid is 303.98 g/mol.
Where can I buy 3-((2,4-Bis(hydroxy(oxido)amino)phenyl)dithio)propanoic acid?
You can request a quote for 3-((2,4-Bis(hydroxy(oxido)amino)phenyl)dithio)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((2,4-Bis(hydroxy(oxido)amino)phenyl)dithio)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-((2,4-Bis(hydroxy(oxido)amino)phenyl)dithio)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.