benzyl 5-amino-2-phenyl-2H-1,2,3-triazole-4-carboxylate
TL;DR: benzyl 5-amino-2-phenyl-2H-1,2,3-triazole-4-carboxylate (CAS 695220-19-0) is a chemical compound with molecular formula C16H14N4O2 and molecular weight 294.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 5-amino-2-phenyltriazole-4-carboxylate
Also Known As: benzyl 5-amino-2-phenyl-2H-1,2,3-triazole-4-carboxylate, benzyl 5-amino-2-phenyltriazole-4-carboxylate, A3552/0150614, phenylmethyl 5-amino-2-phenyl-1,2,3-triazole-4-carboxylate
| Molecular Formula | C16H14N4O2 |
|---|---|
| Molecular Weight | 294.11 g/mol |
| LogP | 2.2065 |
| Topological Polar Surface Area | 83.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 294.11166 |
| Heavy Atoms | 22 |
| Complexity | 769.3546 |
Chemical Identifiers
| CAS Number | 695220-19-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)C2=NN(N=C2N)C3=CC=CC=C3 |
Product Overview
benzyl 5-amino-2-phenyl-2H-1,2,3-triazole-4-carboxylate (CAS 695220-19-0), with molecular formula C16H14N4O2 and molecular weight 294.11 g/mol. IUPAC: benzyl 5-amino-2-phenyltriazole-4-carboxylate.
Chemical Property Profile of benzyl 5-amino-2-phenyl-2H-1,2,3-triazole-4-carboxylate
Property Insights of benzyl 5-amino-2-phenyl-2H-1,2,3-triazole-4-carboxylate
The XLogP value of 2.2065 suggests moderate lipophilicity, balancing water solubility and membrane permeability for benzyl 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 benzyl 5-amino-2-phenyl-2H-1,2,3-triazole-4-carboxylate. Following Lipinski's Rule of Five, benzyl 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 benzyl 5-amino-2-phenyl-2H-1,2,3-triazole-4-carboxylate?
The CAS number of benzyl 5-amino-2-phenyl-2H-1,2,3-triazole-4-carboxylate is 695220-19-0.
What is the molecular formula of benzyl 5-amino-2-phenyl-2H-1,2,3-triazole-4-carboxylate?
The molecular formula of benzyl 5-amino-2-phenyl-2H-1,2,3-triazole-4-carboxylate is C16H14N4O2.
What is the molecular weight of benzyl 5-amino-2-phenyl-2H-1,2,3-triazole-4-carboxylate?
The molecular weight of benzyl 5-amino-2-phenyl-2H-1,2,3-triazole-4-carboxylate is 294.11 g/mol.
Where can I buy benzyl 5-amino-2-phenyl-2H-1,2,3-triazole-4-carboxylate?
You can request a quote for benzyl 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 benzyl 5-amino-2-phenyl-2H-1,2,3-triazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for benzyl 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.