![methyl 1-[(3-fluorophenyl)methyl]-1H-1,2,3-triazole-4-carboxylate structure](/static/products/6678/667887-41-4.webp)
methyl 1-[(3-fluorophenyl)methyl]-1H-1,2,3-triazole-4-carboxylate
TL;DR: methyl 1-[(3-fluorophenyl)methyl]-1H-1,2,3-triazole-4-carboxylate (CAS 667887-41-4) is a chemical compound with molecular formula C11H10FN3O2 and molecular weight 235.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-[(3-fluorophenyl)methyl]triazole-4-carboxylate
Also Known As: methyl 1-[(3-fluorophenyl)methyl]-1H-1,2,3-triazole-4-carboxylate, J3.544.541B, AP-006/41746407, methyl 1-[(3-fluorophenyl)methyl]triazole-4-carboxylate, methyl 1-(3-fluorobenzyl)-1H-1,2,3-triazole-4-carboxylate
| Molecular Formula | C11H10FN3O2 |
|---|---|
| Molecular Weight | 235.08 g/mol |
| LogP | 1.2521 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 235.0757 |
| Heavy Atoms | 17 |
| Complexity | 539.01776 |
Chemical Identifiers
| CAS Number | 667887-41-4 |
|---|---|
| SMILES | COC(=O)C1=CN(N=N1)CC2=CC(=CC=C2)F |
Product Overview
methyl 1-[(3-fluorophenyl)methyl]-1H-1,2,3-triazole-4-carboxylate (CAS 667887-41-4), with molecular formula C11H10FN3O2 and molecular weight 235.08 g/mol. IUPAC: methyl 1-[(3-fluorophenyl)methyl]triazole-4-carboxylate.
Chemical Property Profile of methyl 1-[(3-fluorophenyl)methyl]-1H-1,2,3-triazole-4-carboxylate
Property Insights of methyl 1-[(3-fluorophenyl)methyl]-1H-1,2,3-triazole-4-carboxylate
The XLogP value of 1.2521 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 1-[(3-fluorophenyl)methyl]-1H-1,2,3-triazole-4-carboxylate. With a topological polar surface area (TPSA) of 57.01 Ų, methyl 1-[(3-fluorophenyl)methyl]-1H-1,2,3-triazole-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 1-[(3-fluorophenyl)methyl]-1H-1,2,3-triazole-4-carboxylate 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 1-[(3-fluorophenyl)methyl]-1H-1,2,3-triazole-4-carboxylate?
The CAS number of methyl 1-[(3-fluorophenyl)methyl]-1H-1,2,3-triazole-4-carboxylate is 667887-41-4.
What is the molecular formula of methyl 1-[(3-fluorophenyl)methyl]-1H-1,2,3-triazole-4-carboxylate?
The molecular formula of methyl 1-[(3-fluorophenyl)methyl]-1H-1,2,3-triazole-4-carboxylate is C11H10FN3O2.
What is the molecular weight of methyl 1-[(3-fluorophenyl)methyl]-1H-1,2,3-triazole-4-carboxylate?
The molecular weight of methyl 1-[(3-fluorophenyl)methyl]-1H-1,2,3-triazole-4-carboxylate is 235.08 g/mol.
Where can I buy methyl 1-[(3-fluorophenyl)methyl]-1H-1,2,3-triazole-4-carboxylate?
You can request a quote for methyl 1-[(3-fluorophenyl)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-[(3-fluorophenyl)methyl]-1H-1,2,3-triazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 1-[(3-fluorophenyl)methyl]-1H-1,2,3-triazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.