methyl 5-methyl-1-phenyl-1H-1,2,3-triazole-4-carboxylate
TL;DR: methyl 5-methyl-1-phenyl-1H-1,2,3-triazole-4-carboxylate (CAS 68870-52-0) is a chemical compound with molecular formula C11H11N3O2 and molecular weight 217.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-methyl-1-phenyltriazole-4-carboxylate
Also Known As: methyl 5-methyl-1-phenyl-1H-1,2,3-triazole-4-carboxylate, methyl 5-methyl-1-phenyltriazole-4-carboxylate, methyl 5-methyl-1-phenyl-1,2,3-triazole-4-carboxylate, methyl 5-methyl-1-phenyl-triazole-4-carboxylate, methyl5-methyl-1-phenyl-1H-1,2,3-triazole-4-carboxylate
| Molecular Formula | C11H11N3O2 |
|---|---|
| Molecular Weight | 217.09 g/mol |
| LogP | 1.36232 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 217.08513 |
| Heavy Atoms | 16 |
| Complexity | 505.20316 |
Chemical Identifiers
| CAS Number | 68870-52-0 |
|---|---|
| SMILES | CC1=C(N=NN1C2=CC=CC=C2)C(=O)OC |
Product Overview
methyl 5-methyl-1-phenyl-1H-1,2,3-triazole-4-carboxylate (CAS 68870-52-0), with molecular formula C11H11N3O2 and molecular weight 217.09 g/mol. IUPAC: methyl 5-methyl-1-phenyltriazole-4-carboxylate.
Chemical Property Profile of methyl 5-methyl-1-phenyl-1H-1,2,3-triazole-4-carboxylate
Property Insights of methyl 5-methyl-1-phenyl-1H-1,2,3-triazole-4-carboxylate
The XLogP value of 1.36232 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 5-methyl-1-phenyl-1H-1,2,3-triazole-4-carboxylate. With a topological polar surface area (TPSA) of 57.01 Ų, methyl 5-methyl-1-phenyl-1H-1,2,3-triazole-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 5-methyl-1-phenyl-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 5-methyl-1-phenyl-1H-1,2,3-triazole-4-carboxylate?
The CAS number of methyl 5-methyl-1-phenyl-1H-1,2,3-triazole-4-carboxylate is 68870-52-0.
What is the molecular formula of methyl 5-methyl-1-phenyl-1H-1,2,3-triazole-4-carboxylate?
The molecular formula of methyl 5-methyl-1-phenyl-1H-1,2,3-triazole-4-carboxylate is C11H11N3O2.
What is the molecular weight of methyl 5-methyl-1-phenyl-1H-1,2,3-triazole-4-carboxylate?
The molecular weight of methyl 5-methyl-1-phenyl-1H-1,2,3-triazole-4-carboxylate is 217.09 g/mol.
Where can I buy methyl 5-methyl-1-phenyl-1H-1,2,3-triazole-4-carboxylate?
You can request a quote for methyl 5-methyl-1-phenyl-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 5-methyl-1-phenyl-1H-1,2,3-triazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-methyl-1-phenyl-1H-1,2,3-triazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.