![methyl 2-[3-methyl-4-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]propanoate structure](/static/products/866/866138-36-5.png)
methyl 2-[3-methyl-4-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]propanoate
TL;DR: methyl 2-[3-methyl-4-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]propanoate (CAS 866138-36-5) is a chemical compound with molecular formula C14H17N3O3 and molecular weight 275.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[3-methyl-4-(4-methylphenyl)-5-oxo-1,2,4-triazol-1-yl]propanoate
Also Known As: methyl 2-[3-methyl-4-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]propanoate, methyl 2-[3-methyl-4-(4-methylphenyl)-5-oxo-1,2,4-triazol-1-yl]propanoate, methyl 2-[3-methyl-5-oxo-4-(p-tolyl)-1,2,4-triazol-1-yl]propanoate, methyl2-[3-methyl-4-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]propanoate
| Molecular Formula | C14H17N3O3 |
|---|---|
| Molecular Weight | 275.13 g/mol |
| LogP | 1.38484 |
| Topological Polar Surface Area | 66.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 275.12698 |
| Heavy Atoms | 20 |
| Complexity | 682.67993 |
Chemical Identifiers
| CAS Number | 866138-36-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NN(C2=O)C(C)C(=O)OC)C |
Product Overview
methyl 2-[3-methyl-4-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]propanoate (CAS 866138-36-5), with molecular formula C14H17N3O3 and molecular weight 275.13 g/mol. IUPAC: methyl 2-[3-methyl-4-(4-methylphenyl)-5-oxo-1,2,4-triazol-1-yl]propanoate.
Chemical Property Profile of methyl 2-[3-methyl-4-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]propanoate
Property Insights of methyl 2-[3-methyl-4-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]propanoate
The XLogP value of 1.38484 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-[3-methyl-4-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]propanoate. The TPSA of 66.12 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-[3-methyl-4-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]propanoate. Following Lipinski's Rule of Five, methyl 2-[3-methyl-4-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]propanoate has 0 hydrogen bond donor(s) and 4 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 methyl 2-[3-methyl-4-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]propanoate?
The CAS number of methyl 2-[3-methyl-4-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]propanoate is 866138-36-5.
What is the molecular formula of methyl 2-[3-methyl-4-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]propanoate?
The molecular formula of methyl 2-[3-methyl-4-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]propanoate is C14H17N3O3.
What is the molecular weight of methyl 2-[3-methyl-4-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]propanoate?
The molecular weight of methyl 2-[3-methyl-4-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]propanoate is 275.13 g/mol.
Where can I buy methyl 2-[3-methyl-4-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]propanoate?
You can request a quote for methyl 2-[3-methyl-4-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-[3-methyl-4-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]propanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-[3-methyl-4-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.