3-(4-amino-3-((2-((4-chlorophenyl)amino)-2-oxoethyl)thio)-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)propanoic acid
TL;DR: 3-(4-amino-3-((2-((4-chlorophenyl)amino)-2-oxoethyl)thio)-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)propanoic acid (CAS 383370-59-0) is a chemical compound with molecular formula C14H14ClN5O4S and molecular weight 383.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-amino-3-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-5-oxo-1,2,4-triazin-6-yl]propanoic acid
Also Known As: 3-(4-amino-3-((2-((4-chlorophenyl)amino)-2-oxoethyl)thio)-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)propanoic acid, AF-407/40919041, F2712-0114, 3-[4-amino-3-({[(4-chlorophenyl)carbamoyl]methyl}sulfanyl)-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl]propanoic acid, 3-(4-amino-3-{[2-(4-chloroanilino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)propanoic acid
| Molecular Formula | C14H14ClN5O4S |
|---|---|
| Molecular Weight | 383.05 g/mol |
| LogP | 0.7535 |
| Topological Polar Surface Area | 140.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 383.0455 |
| Heavy Atoms | 25 |
| Complexity | 840.106 |
Chemical Identifiers
| CAS Number | 383370-59-0 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)CSC2=NN=C(C(=O)N2N)CCC(=O)O)Cl |
Product Overview
3-(4-amino-3-((2-((4-chlorophenyl)amino)-2-oxoethyl)thio)-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)propanoic acid (CAS 383370-59-0), with molecular formula C14H14ClN5O4S and molecular weight 383.05 g/mol. IUPAC: 3-[4-amino-3-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-5-oxo-1,2,4-triazin-6-yl]propanoic acid.
Chemical Property Profile of 3-(4-amino-3-((2-((4-chlorophenyl)amino)-2-oxoethyl)thio)-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)propanoic acid
Property Insights of 3-(4-amino-3-((2-((4-chlorophenyl)amino)-2-oxoethyl)thio)-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)propanoic acid
The XLogP value of 0.7535 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-amino-3-((2-((4-chlorophenyl)amino)-2-oxoethyl)thio)-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)propanoic acid. The TPSA of 140.2 Ų indicates high polarity, suggesting 3-(4-amino-3-((2-((4-chlorophenyl)amino)-2-oxoethyl)thio)-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)propanoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-(4-amino-3-((2-((4-chlorophenyl)amino)-2-oxoethyl)thio)-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)propanoic acid has 3 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 3-(4-amino-3-((2-((4-chlorophenyl)amino)-2-oxoethyl)thio)-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)propanoic acid?
The CAS number of 3-(4-amino-3-((2-((4-chlorophenyl)amino)-2-oxoethyl)thio)-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)propanoic acid is 383370-59-0.
What is the molecular formula of 3-(4-amino-3-((2-((4-chlorophenyl)amino)-2-oxoethyl)thio)-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)propanoic acid?
The molecular formula of 3-(4-amino-3-((2-((4-chlorophenyl)amino)-2-oxoethyl)thio)-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)propanoic acid is C14H14ClN5O4S.
What is the molecular weight of 3-(4-amino-3-((2-((4-chlorophenyl)amino)-2-oxoethyl)thio)-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)propanoic acid?
The molecular weight of 3-(4-amino-3-((2-((4-chlorophenyl)amino)-2-oxoethyl)thio)-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)propanoic acid is 383.05 g/mol.
Where can I buy 3-(4-amino-3-((2-((4-chlorophenyl)amino)-2-oxoethyl)thio)-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)propanoic acid?
You can request a quote for 3-(4-amino-3-((2-((4-chlorophenyl)amino)-2-oxoethyl)thio)-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)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-(4-amino-3-((2-((4-chlorophenyl)amino)-2-oxoethyl)thio)-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-amino-3-((2-((4-chlorophenyl)amino)-2-oxoethyl)thio)-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.