2-methylbenzyl 5-amino-2-phenyl-2H-1,2,3-triazole-4-carboxylate
TL;DR: 2-methylbenzyl 5-amino-2-phenyl-2H-1,2,3-triazole-4-carboxylate (CAS 695220-59-8) is a chemical compound with molecular formula C17H16N4O2 and molecular weight 308.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methylphenyl)methyl 5-amino-2-phenyltriazole-4-carboxylate
Also Known As: 2-methylbenzyl 5-amino-2-phenyl-2H-1,2,3-triazole-4-carboxylate, (2-methylphenyl)methyl 5-amino-2-phenyltriazole-4-carboxylate, A3553/0150658, (2-methylphenyl)methyl 5-amino-2-phenyl-2H-1,2,3-triazole-4-carboxylate
| Molecular Formula | C17H16N4O2 |
|---|---|
| Molecular Weight | 308.13 g/mol |
| LogP | 2.51492 |
| Topological Polar Surface Area | 83.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 308.12732 |
| Heavy Atoms | 23 |
| Complexity | 827.61957 |
Chemical Identifiers
| CAS Number | 695220-59-8 |
|---|---|
| SMILES | CC1=CC=CC=C1COC(=O)C2=NN(N=C2N)C3=CC=CC=C3 |
Product Overview
2-methylbenzyl 5-amino-2-phenyl-2H-1,2,3-triazole-4-carboxylate (CAS 695220-59-8), with molecular formula C17H16N4O2 and molecular weight 308.13 g/mol. IUPAC: (2-methylphenyl)methyl 5-amino-2-phenyltriazole-4-carboxylate.
Chemical Property Profile of 2-methylbenzyl 5-amino-2-phenyl-2H-1,2,3-triazole-4-carboxylate
Property Insights of 2-methylbenzyl 5-amino-2-phenyl-2H-1,2,3-triazole-4-carboxylate
The XLogP value of 2.51492 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-methylbenzyl 5-amino-2-phenyl-2H-1,2,3-triazole-4-carboxylate. The TPSA of 83.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-methylbenzyl 5-amino-2-phenyl-2H-1,2,3-triazole-4-carboxylate. Following Lipinski's Rule of Five, 2-methylbenzyl 5-amino-2-phenyl-2H-1,2,3-triazole-4-carboxylate has 1 hydrogen bond donor(s) and 5 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 2-methylbenzyl 5-amino-2-phenyl-2H-1,2,3-triazole-4-carboxylate?
The CAS number of 2-methylbenzyl 5-amino-2-phenyl-2H-1,2,3-triazole-4-carboxylate is 695220-59-8.
What is the molecular formula of 2-methylbenzyl 5-amino-2-phenyl-2H-1,2,3-triazole-4-carboxylate?
The molecular formula of 2-methylbenzyl 5-amino-2-phenyl-2H-1,2,3-triazole-4-carboxylate is C17H16N4O2.
What is the molecular weight of 2-methylbenzyl 5-amino-2-phenyl-2H-1,2,3-triazole-4-carboxylate?
The molecular weight of 2-methylbenzyl 5-amino-2-phenyl-2H-1,2,3-triazole-4-carboxylate is 308.13 g/mol.
Where can I buy 2-methylbenzyl 5-amino-2-phenyl-2H-1,2,3-triazole-4-carboxylate?
You can request a quote for 2-methylbenzyl 5-amino-2-phenyl-2H-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 2-methylbenzyl 5-amino-2-phenyl-2H-1,2,3-triazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-methylbenzyl 5-amino-2-phenyl-2H-1,2,3-triazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.