methyl 1-(2-cyanophenyl)-5-(2-methoxy-2-oxoethyl)-1H-1,2,3-triazole-4-carboxylate
TL;DR: methyl 1-(2-cyanophenyl)-5-(2-methoxy-2-oxoethyl)-1H-1,2,3-triazole-4-carboxylate (CAS 338394-65-3) is a chemical compound with molecular formula C14H12N4O4 and molecular weight 300.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-(2-cyanophenyl)-5-(2-methoxy-2-oxoethyl)triazole-4-carboxylate
Also Known As: methyl 1-(2-cyanophenyl)-5-(2-methoxy-2-oxoethyl)-1H-1,2,3-triazole-4-carboxylate, 2D-043, methyl 1-(2-cyanophenyl)-5-(2-methoxy-2-oxoethyl)triazole-4-carboxylate, methyl 1-(2-cyanophenyl)-5-(2-methoxy-2-oxo-ethyl)triazole-4-carboxylate, methyl 1-(2-cyanophenyl)-5-(2-methoxy-2-oxoethyl)-1,2,3-triazole-4-carboxylate
| Molecular Formula | C14H12N4O4 |
|---|---|
| Molecular Weight | 300.09 g/mol |
| LogP | 0.64108 |
| Topological Polar Surface Area | 107.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.08585 |
| Heavy Atoms | 22 |
| Complexity | 760.4436 |
Chemical Identifiers
| CAS Number | 338394-65-3 |
|---|---|
| SMILES | COC(=O)CC1=C(N=NN1C2=CC=CC=C2C#N)C(=O)OC |
Product Overview
methyl 1-(2-cyanophenyl)-5-(2-methoxy-2-oxoethyl)-1H-1,2,3-triazole-4-carboxylate (CAS 338394-65-3), with molecular formula C14H12N4O4 and molecular weight 300.09 g/mol. IUPAC: methyl 1-(2-cyanophenyl)-5-(2-methoxy-2-oxoethyl)triazole-4-carboxylate.
Chemical Property Profile of methyl 1-(2-cyanophenyl)-5-(2-methoxy-2-oxoethyl)-1H-1,2,3-triazole-4-carboxylate
Property Insights of methyl 1-(2-cyanophenyl)-5-(2-methoxy-2-oxoethyl)-1H-1,2,3-triazole-4-carboxylate
The XLogP value of 0.64108 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 1-(2-cyanophenyl)-5-(2-methoxy-2-oxoethyl)-1H-1,2,3-triazole-4-carboxylate. The TPSA of 107.1 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 1-(2-cyanophenyl)-5-(2-methoxy-2-oxoethyl)-1H-1,2,3-triazole-4-carboxylate. Following Lipinski's Rule of Five, methyl 1-(2-cyanophenyl)-5-(2-methoxy-2-oxoethyl)-1H-1,2,3-triazole-4-carboxylate has 0 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 methyl 1-(2-cyanophenyl)-5-(2-methoxy-2-oxoethyl)-1H-1,2,3-triazole-4-carboxylate?
The CAS number of methyl 1-(2-cyanophenyl)-5-(2-methoxy-2-oxoethyl)-1H-1,2,3-triazole-4-carboxylate is 338394-65-3.
What is the molecular formula of methyl 1-(2-cyanophenyl)-5-(2-methoxy-2-oxoethyl)-1H-1,2,3-triazole-4-carboxylate?
The molecular formula of methyl 1-(2-cyanophenyl)-5-(2-methoxy-2-oxoethyl)-1H-1,2,3-triazole-4-carboxylate is C14H12N4O4.
What is the molecular weight of methyl 1-(2-cyanophenyl)-5-(2-methoxy-2-oxoethyl)-1H-1,2,3-triazole-4-carboxylate?
The molecular weight of methyl 1-(2-cyanophenyl)-5-(2-methoxy-2-oxoethyl)-1H-1,2,3-triazole-4-carboxylate is 300.09 g/mol.
Where can I buy methyl 1-(2-cyanophenyl)-5-(2-methoxy-2-oxoethyl)-1H-1,2,3-triazole-4-carboxylate?
You can request a quote for methyl 1-(2-cyanophenyl)-5-(2-methoxy-2-oxoethyl)-1H-1,2,3-triazole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 1-(2-cyanophenyl)-5-(2-methoxy-2-oxoethyl)-1H-1,2,3-triazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 1-(2-cyanophenyl)-5-(2-methoxy-2-oxoethyl)-1H-1,2,3-triazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.