2-((5-(1-Benzyl-2-oxo-1,2-dihydropyridin-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)propanoic acid
TL;DR: 2-((5-(1-Benzyl-2-oxo-1,2-dihydropyridin-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)propanoic acid (CAS 282523-27-7) is a chemical compound with molecular formula C18H18N4O3S and molecular weight 370.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(1-benzyl-2-oxo-3-pyridinyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid
Also Known As: 2-((5-(1-Benzyl-2-oxo-1,2-dihydropyridin-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)propanoic acid, 10F-353S, 2-{[5-(1-benzyl-2-oxo-1,2-dihydro-3-pyridinyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}propanoic acid, 2-[[5-(1-benzyl-2-oxopyridin-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid, benzyloxodihydropyridinylmethyltriazolylsulfanylpropanoicacid
| Molecular Formula | C18H18N4O3S |
|---|---|
| Molecular Weight | 370.11 g/mol |
| LogP | 2.2573 |
| Topological Polar Surface Area | 90.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 370.10995 |
| Heavy Atoms | 26 |
| Complexity | 981.6013 |
Chemical Identifiers
| CAS Number | 282523-27-7 |
|---|---|
| SMILES | CC(C(=O)O)SC1=NN=C(N1C)C2=CC=CN(C2=O)CC3=CC=CC=C3 |
Product Overview
2-((5-(1-Benzyl-2-oxo-1,2-dihydropyridin-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)propanoic acid (CAS 282523-27-7), with molecular formula C18H18N4O3S and molecular weight 370.11 g/mol. IUPAC: 2-[[5-(1-benzyl-2-oxo-3-pyridinyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid.
Chemical Property Profile of 2-((5-(1-Benzyl-2-oxo-1,2-dihydropyridin-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)propanoic acid
Property Insights of 2-((5-(1-Benzyl-2-oxo-1,2-dihydropyridin-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)propanoic acid
The XLogP value of 2.2573 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((5-(1-Benzyl-2-oxo-1,2-dihydropyridin-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)propanoic acid. The TPSA of 90.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((5-(1-Benzyl-2-oxo-1,2-dihydropyridin-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)propanoic acid. Following Lipinski's Rule of Five, 2-((5-(1-Benzyl-2-oxo-1,2-dihydropyridin-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)propanoic acid has 1 hydrogen bond donor(s) and 5 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-((5-(1-Benzyl-2-oxo-1,2-dihydropyridin-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)propanoic acid?
The CAS number of 2-((5-(1-Benzyl-2-oxo-1,2-dihydropyridin-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)propanoic acid is 282523-27-7.
What is the molecular formula of 2-((5-(1-Benzyl-2-oxo-1,2-dihydropyridin-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)propanoic acid?
The molecular formula of 2-((5-(1-Benzyl-2-oxo-1,2-dihydropyridin-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)propanoic acid is C18H18N4O3S.
What is the molecular weight of 2-((5-(1-Benzyl-2-oxo-1,2-dihydropyridin-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)propanoic acid?
The molecular weight of 2-((5-(1-Benzyl-2-oxo-1,2-dihydropyridin-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)propanoic acid is 370.11 g/mol.
Where can I buy 2-((5-(1-Benzyl-2-oxo-1,2-dihydropyridin-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)propanoic acid?
You can request a quote for 2-((5-(1-Benzyl-2-oxo-1,2-dihydropyridin-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((5-(1-Benzyl-2-oxo-1,2-dihydropyridin-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((5-(1-Benzyl-2-oxo-1,2-dihydropyridin-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.