ethyl 5-methyl-1-phenyl-1H-1,2,3-triazole-4-carboxylate
TL;DR: ethyl 5-methyl-1-phenyl-1H-1,2,3-triazole-4-carboxylate (CAS 27049-64-5) is a chemical compound with molecular formula C12H13N3O2 and molecular weight 231.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-methyl-1-phenyltriazole-4-carboxylate
Also Known As: ethyl 5-methyl-1-phenyl-1H-1,2,3-triazole-4-carboxylate, ethyl 5-methyl-1-phenyltriazole-4-carboxylate, J3.155.392J, ethyl 5-methyl-1-phenyl-triazole-4-carboxylate, AN-666/15062004
| Molecular Formula | C12H13N3O2 |
|---|---|
| Molecular Weight | 231.10 g/mol |
| LogP | 1.75242 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 231.10077 |
| Heavy Atoms | 17 |
| Complexity | 519.80194 |
Chemical Identifiers
| CAS Number | 27049-64-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(N=N1)C2=CC=CC=C2)C |
Product Overview
ethyl 5-methyl-1-phenyl-1H-1,2,3-triazole-4-carboxylate (CAS 27049-64-5), with molecular formula C12H13N3O2 and molecular weight 231.10 g/mol. IUPAC: ethyl 5-methyl-1-phenyltriazole-4-carboxylate.
Chemical Property Profile of ethyl 5-methyl-1-phenyl-1H-1,2,3-triazole-4-carboxylate
Property Insights of ethyl 5-methyl-1-phenyl-1H-1,2,3-triazole-4-carboxylate
The XLogP value of 1.75242 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 5-methyl-1-phenyl-1H-1,2,3-triazole-4-carboxylate. With a topological polar surface area (TPSA) of 57.01 Ų, ethyl 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, ethyl 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 ethyl 5-methyl-1-phenyl-1H-1,2,3-triazole-4-carboxylate?
The CAS number of ethyl 5-methyl-1-phenyl-1H-1,2,3-triazole-4-carboxylate is 27049-64-5.
What is the molecular formula of ethyl 5-methyl-1-phenyl-1H-1,2,3-triazole-4-carboxylate?
The molecular formula of ethyl 5-methyl-1-phenyl-1H-1,2,3-triazole-4-carboxylate is C12H13N3O2.
What is the molecular weight of ethyl 5-methyl-1-phenyl-1H-1,2,3-triazole-4-carboxylate?
The molecular weight of ethyl 5-methyl-1-phenyl-1H-1,2,3-triazole-4-carboxylate is 231.10 g/mol.
Where can I buy ethyl 5-methyl-1-phenyl-1H-1,2,3-triazole-4-carboxylate?
You can request a quote for ethyl 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 ethyl 5-methyl-1-phenyl-1H-1,2,3-triazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 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.