![methyl 1-[(4-methoxyphenyl)methyl]-1H-1,2,3-triazole-4-carboxylate structure](/static/products/1410/141072-06-2.webp)
methyl 1-[(4-methoxyphenyl)methyl]-1H-1,2,3-triazole-4-carboxylate
TL;DR: methyl 1-[(4-methoxyphenyl)methyl]-1H-1,2,3-triazole-4-carboxylate (CAS 141072-06-2) is a chemical compound with molecular formula C12H13N3O3 and molecular weight 247.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-[(4-methoxyphenyl)methyl]triazole-4-carboxylate
Also Known As: methyl 1-[(4-methoxyphenyl)methyl]-1H-1,2,3-triazole-4-carboxylate, J3.544.546C, AP-006/41746402, methyl 1-(4-methoxybenzyl)-1H-1,2,3-triazole-4-carboxylate, methyl 1-[(4-methoxyphenyl)methyl]triazole-4-carboxylate
| Molecular Formula | C12H13N3O3 |
|---|---|
| Molecular Weight | 247.10 g/mol |
| LogP | 1.1216 |
| Topological Polar Surface Area | 66.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 247.09569 |
| Heavy Atoms | 18 |
| Complexity | 533.7556 |
Chemical Identifiers
| CAS Number | 141072-06-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CN2C=C(N=N2)C(=O)OC |
Product Overview
methyl 1-[(4-methoxyphenyl)methyl]-1H-1,2,3-triazole-4-carboxylate (CAS 141072-06-2), with molecular formula C12H13N3O3 and molecular weight 247.10 g/mol. IUPAC: methyl 1-[(4-methoxyphenyl)methyl]triazole-4-carboxylate.
Chemical Property Profile of methyl 1-[(4-methoxyphenyl)methyl]-1H-1,2,3-triazole-4-carboxylate
Property Insights of methyl 1-[(4-methoxyphenyl)methyl]-1H-1,2,3-triazole-4-carboxylate
The XLogP value of 1.1216 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 1-[(4-methoxyphenyl)methyl]-1H-1,2,3-triazole-4-carboxylate. The TPSA of 66.24 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 1-[(4-methoxyphenyl)methyl]-1H-1,2,3-triazole-4-carboxylate. Following Lipinski's Rule of Five, methyl 1-[(4-methoxyphenyl)methyl]-1H-1,2,3-triazole-4-carboxylate 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 methyl 1-[(4-methoxyphenyl)methyl]-1H-1,2,3-triazole-4-carboxylate?
The CAS number of methyl 1-[(4-methoxyphenyl)methyl]-1H-1,2,3-triazole-4-carboxylate is 141072-06-2.
What is the molecular formula of methyl 1-[(4-methoxyphenyl)methyl]-1H-1,2,3-triazole-4-carboxylate?
The molecular formula of methyl 1-[(4-methoxyphenyl)methyl]-1H-1,2,3-triazole-4-carboxylate is C12H13N3O3.
What is the molecular weight of methyl 1-[(4-methoxyphenyl)methyl]-1H-1,2,3-triazole-4-carboxylate?
The molecular weight of methyl 1-[(4-methoxyphenyl)methyl]-1H-1,2,3-triazole-4-carboxylate is 247.10 g/mol.
Where can I buy methyl 1-[(4-methoxyphenyl)methyl]-1H-1,2,3-triazole-4-carboxylate?
You can request a quote for methyl 1-[(4-methoxyphenyl)methyl]-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-[(4-methoxyphenyl)methyl]-1H-1,2,3-triazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 1-[(4-methoxyphenyl)methyl]-1H-1,2,3-triazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.