methyl 1-(4-fluorophenyl)-5-hydroxy-1H-1,2,3-triazole-4-carboxylate
TL;DR: methyl 1-(4-fluorophenyl)-5-hydroxy-1H-1,2,3-triazole-4-carboxylate (CAS 728024-45-1) is a chemical compound with molecular formula C10H8FN3O3 and molecular weight 237.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-(4-fluorophenyl)-5-oxo-2H-triazole-4-carboxylate
Also Known As: ZERO/005414, methyl 1-(4-fluorophenyl)-5-hydroxy-1H-1,2,3-triazole-4-carboxylate, methyl 1-(4-fluorophenyl)-5-oxo-2H-triazole-4-carboxylate, methyl 1-(4-fluorophenyl)-5-hydroxy-1{H}-1,2,3-triazole-4-carboxylate, methyl 1-(4-fluorophenyl)-5-hydroxy-1,2,3-triazole-4-carboxylate
| Molecular Formula | C10H8FN3O3 |
|---|---|
| Molecular Weight | 237.05 g/mol |
| LogP | 0.4863 |
| Topological Polar Surface Area | 76.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 237.05496 |
| Heavy Atoms | 17 |
| Complexity | 600.00385 |
Chemical Identifiers
| CAS Number | 728024-45-1 |
|---|---|
| SMILES | COC(=O)C1=NNN(C1=O)C2=CC=C(C=C2)F |
Product Overview
methyl 1-(4-fluorophenyl)-5-hydroxy-1H-1,2,3-triazole-4-carboxylate (CAS 728024-45-1), with molecular formula C10H8FN3O3 and molecular weight 237.05 g/mol. IUPAC: methyl 1-(4-fluorophenyl)-5-oxo-2H-triazole-4-carboxylate.
Chemical Property Profile of methyl 1-(4-fluorophenyl)-5-hydroxy-1H-1,2,3-triazole-4-carboxylate
Property Insights of methyl 1-(4-fluorophenyl)-5-hydroxy-1H-1,2,3-triazole-4-carboxylate
The XLogP value of 0.4863 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 1-(4-fluorophenyl)-5-hydroxy-1H-1,2,3-triazole-4-carboxylate. The TPSA of 76.98 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 1-(4-fluorophenyl)-5-hydroxy-1H-1,2,3-triazole-4-carboxylate. Following Lipinski's Rule of Five, methyl 1-(4-fluorophenyl)-5-hydroxy-1H-1,2,3-triazole-4-carboxylate has 1 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-(4-fluorophenyl)-5-hydroxy-1H-1,2,3-triazole-4-carboxylate?
The CAS number of methyl 1-(4-fluorophenyl)-5-hydroxy-1H-1,2,3-triazole-4-carboxylate is 728024-45-1.
What is the molecular formula of methyl 1-(4-fluorophenyl)-5-hydroxy-1H-1,2,3-triazole-4-carboxylate?
The molecular formula of methyl 1-(4-fluorophenyl)-5-hydroxy-1H-1,2,3-triazole-4-carboxylate is C10H8FN3O3.
What is the molecular weight of methyl 1-(4-fluorophenyl)-5-hydroxy-1H-1,2,3-triazole-4-carboxylate?
The molecular weight of methyl 1-(4-fluorophenyl)-5-hydroxy-1H-1,2,3-triazole-4-carboxylate is 237.05 g/mol.
Where can I buy methyl 1-(4-fluorophenyl)-5-hydroxy-1H-1,2,3-triazole-4-carboxylate?
You can request a quote for methyl 1-(4-fluorophenyl)-5-hydroxy-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-fluorophenyl)-5-hydroxy-1H-1,2,3-triazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 1-(4-fluorophenyl)-5-hydroxy-1H-1,2,3-triazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.