methyl 4-phenyl-1H-1,2,3-triazole-5-carboxylate
TL;DR: methyl 4-phenyl-1H-1,2,3-triazole-5-carboxylate (CAS 6451-84-9) is a chemical compound with molecular formula C10H9N3O2 and molecular weight 203.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-phenyl-2H-triazole-4-carboxylate
Also Known As: methyl 4-phenyl-1H-1,2,3-triazole-5-carboxylate, Methyl 5-phenyl-1H-1,2,3-triazole-4-carboxylate, methyl 5-phenyl-2H-triazole-4-carboxylate, methyl 5-phenyl-2H-1,2,3-triazole-4-carboxylate, N/A
| Molecular Formula | C10H9N3O2 |
|---|---|
| Molecular Weight | 203.07 g/mol |
| LogP | 1.2583 |
| Topological Polar Surface Area | 67.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 203.06947 |
| Heavy Atoms | 15 |
| Complexity | 464.52957 |
Chemical Identifiers
| CAS Number | 6451-84-9 |
|---|---|
| SMILES | COC(=O)C1=NNN=C1C2=CC=CC=C2 |
Product Overview
methyl 4-phenyl-1H-1,2,3-triazole-5-carboxylate (CAS 6451-84-9), with molecular formula C10H9N3O2 and molecular weight 203.07 g/mol. IUPAC: methyl 5-phenyl-2H-triazole-4-carboxylate.
Chemical Property Profile of methyl 4-phenyl-1H-1,2,3-triazole-5-carboxylate
Property Insights of methyl 4-phenyl-1H-1,2,3-triazole-5-carboxylate
The XLogP value of 1.2583 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-phenyl-1H-1,2,3-triazole-5-carboxylate. The TPSA of 67.87 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-phenyl-1H-1,2,3-triazole-5-carboxylate. Following Lipinski's Rule of Five, methyl 4-phenyl-1H-1,2,3-triazole-5-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 4-phenyl-1H-1,2,3-triazole-5-carboxylate?
The CAS number of methyl 4-phenyl-1H-1,2,3-triazole-5-carboxylate is 6451-84-9.
What is the molecular formula of methyl 4-phenyl-1H-1,2,3-triazole-5-carboxylate?
The molecular formula of methyl 4-phenyl-1H-1,2,3-triazole-5-carboxylate is C10H9N3O2.
What is the molecular weight of methyl 4-phenyl-1H-1,2,3-triazole-5-carboxylate?
The molecular weight of methyl 4-phenyl-1H-1,2,3-triazole-5-carboxylate is 203.07 g/mol.
Where can I buy methyl 4-phenyl-1H-1,2,3-triazole-5-carboxylate?
You can request a quote for methyl 4-phenyl-1H-1,2,3-triazole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-phenyl-1H-1,2,3-triazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-phenyl-1H-1,2,3-triazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.