![2-[4-(2,4-dimethoxyphenyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetonitrile structure](/static/products/861/861206-36-2.png)
2-[4-(2,4-dimethoxyphenyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetonitrile
TL;DR: 2-[4-(2,4-dimethoxyphenyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetonitrile (CAS 861206-36-2) is a chemical compound with molecular formula C13H14N4O3 and molecular weight 274.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(2,4-dimethoxyphenyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]acetonitrile
Also Known As: 2-[4-(2,4-dimethoxyphenyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetonitrile, 1W-0888, 2-[4-(2,4-dimethoxyphenyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]acetonitrile
| Molecular Formula | C13H14N4O3 |
|---|---|
| Molecular Weight | 274.11 g/mol |
| LogP | 0.8832 |
| Topological Polar Surface Area | 82.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 274.1066 |
| Heavy Atoms | 20 |
| Complexity | 724.1931 |
Chemical Identifiers
| CAS Number | 861206-36-2 |
|---|---|
| SMILES | CC1=NN(C(=O)N1C2=C(C=C(C=C2)OC)OC)CC#N |
Product Overview
2-[4-(2,4-dimethoxyphenyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetonitrile (CAS 861206-36-2), with molecular formula C13H14N4O3 and molecular weight 274.11 g/mol. IUPAC: 2-[4-(2,4-dimethoxyphenyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]acetonitrile.
Chemical Property Profile of 2-[4-(2,4-dimethoxyphenyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetonitrile
Property Insights of 2-[4-(2,4-dimethoxyphenyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetonitrile
The XLogP value of 0.8832 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[4-(2,4-dimethoxyphenyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetonitrile. The TPSA of 82.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[4-(2,4-dimethoxyphenyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetonitrile. Following Lipinski's Rule of Five, 2-[4-(2,4-dimethoxyphenyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetonitrile has 0 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-[4-(2,4-dimethoxyphenyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetonitrile?
The CAS number of 2-[4-(2,4-dimethoxyphenyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetonitrile is 861206-36-2.
What is the molecular formula of 2-[4-(2,4-dimethoxyphenyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetonitrile?
The molecular formula of 2-[4-(2,4-dimethoxyphenyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetonitrile is C13H14N4O3.
What is the molecular weight of 2-[4-(2,4-dimethoxyphenyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetonitrile?
The molecular weight of 2-[4-(2,4-dimethoxyphenyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetonitrile is 274.11 g/mol.
Where can I buy 2-[4-(2,4-dimethoxyphenyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetonitrile?
You can request a quote for 2-[4-(2,4-dimethoxyphenyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-(2,4-dimethoxyphenyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-(2,4-dimethoxyphenyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.