![2-[3-methyl-4-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]propanoic acid structure](/static/products/866/866149-18-0.png)
2-[3-methyl-4-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]propanoic acid
TL;DR: 2-[3-methyl-4-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]propanoic acid (CAS 866149-18-0) is a chemical compound with molecular formula C13H15N3O3 and molecular weight 261.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-methyl-4-(4-methylphenyl)-5-oxo-1,2,4-triazol-1-yl]propanoic acid
Also Known As: 2-[3-methyl-4-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]propanoic acid, 2-[3-methyl-4-(4-methylphenyl)-5-oxo-1,2,4-triazol-1-yl]propanoic Acid, 9W-0820, 2-[3-methyl-5-oxo-4-(p-tolyl)-1,2,4-triazol-1-yl]propanoic acid, 2-[3-methyl-4-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]propanoicacid
| Molecular Formula | C13H15N3O3 |
|---|---|
| Molecular Weight | 261.11 g/mol |
| LogP | 1.29644 |
| Topological Polar Surface Area | 77.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 261.11133 |
| Heavy Atoms | 19 |
| Complexity | 667.4321 |
Chemical Identifiers
| CAS Number | 866149-18-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NN(C2=O)C(C)C(=O)O)C |
Product Overview
2-[3-methyl-4-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]propanoic acid (CAS 866149-18-0), with molecular formula C13H15N3O3 and molecular weight 261.11 g/mol. IUPAC: 2-[3-methyl-4-(4-methylphenyl)-5-oxo-1,2,4-triazol-1-yl]propanoic acid.
Chemical Property Profile of 2-[3-methyl-4-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]propanoic acid
Property Insights of 2-[3-methyl-4-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]propanoic acid
The XLogP value of 1.29644 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[3-methyl-4-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]propanoic acid. The TPSA of 77.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[3-methyl-4-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]propanoic acid. Following Lipinski's Rule of Five, 2-[3-methyl-4-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]propanoic acid has 1 hydrogen bond donor(s) and 3 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-[3-methyl-4-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]propanoic acid?
The CAS number of 2-[3-methyl-4-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]propanoic acid is 866149-18-0.
What is the molecular formula of 2-[3-methyl-4-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]propanoic acid?
The molecular formula of 2-[3-methyl-4-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]propanoic acid is C13H15N3O3.
What is the molecular weight of 2-[3-methyl-4-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]propanoic acid?
The molecular weight of 2-[3-methyl-4-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]propanoic acid is 261.11 g/mol.
Where can I buy 2-[3-methyl-4-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]propanoic acid?
You can request a quote for 2-[3-methyl-4-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-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 2-[3-methyl-4-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[3-methyl-4-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.