benzyl 6-(1H-1,2,4-triazol-1-yl)nicotinate
TL;DR: benzyl 6-(1H-1,2,4-triazol-1-yl)nicotinate (CAS 400080-58-2) is a chemical compound with molecular formula C15H12N4O2 and molecular weight 280.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 6-(1,2,4-triazol-1-yl)pyridine-3-carboxylate
Also Known As: benzyl 6-(1H-1,2,4-triazol-1-yl)nicotinate, 3G-351S, benzyl 6-(1,2,4-triazol-1-yl)pyridine-3-carboxylate, benzyl 6-(1H-1,2,4-triazol-1-yl)pyridine-3-carboxylate
| Molecular Formula | C15H12N4O2 |
|---|---|
| Molecular Weight | 280.10 g/mol |
| LogP | 2.0193 |
| Topological Polar Surface Area | 69.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 280.09604 |
| Heavy Atoms | 21 |
| Complexity | 709.19916 |
Chemical Identifiers
| CAS Number | 400080-58-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)C2=CN=C(C=C2)N3C=NC=N3 |
Product Overview
benzyl 6-(1H-1,2,4-triazol-1-yl)nicotinate (CAS 400080-58-2), with molecular formula C15H12N4O2 and molecular weight 280.10 g/mol. IUPAC: benzyl 6-(1,2,4-triazol-1-yl)pyridine-3-carboxylate.
Chemical Property Profile of benzyl 6-(1H-1,2,4-triazol-1-yl)nicotinate
Property Insights of benzyl 6-(1H-1,2,4-triazol-1-yl)nicotinate
The XLogP value of 2.0193 suggests moderate lipophilicity, balancing water solubility and membrane permeability for benzyl 6-(1H-1,2,4-triazol-1-yl)nicotinate. The TPSA of 69.9 Ų falls within the moderate polarity range, balancing permeability and solubility for benzyl 6-(1H-1,2,4-triazol-1-yl)nicotinate. Following Lipinski's Rule of Five, benzyl 6-(1H-1,2,4-triazol-1-yl)nicotinate has 0 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 6-(1H-1,2,4-triazol-1-yl)nicotinate?
The CAS number of benzyl 6-(1H-1,2,4-triazol-1-yl)nicotinate is 400080-58-2.
What is the molecular formula of benzyl 6-(1H-1,2,4-triazol-1-yl)nicotinate?
The molecular formula of benzyl 6-(1H-1,2,4-triazol-1-yl)nicotinate is C15H12N4O2.
What is the molecular weight of benzyl 6-(1H-1,2,4-triazol-1-yl)nicotinate?
The molecular weight of benzyl 6-(1H-1,2,4-triazol-1-yl)nicotinate is 280.10 g/mol.
Where can I buy benzyl 6-(1H-1,2,4-triazol-1-yl)nicotinate?
You can request a quote for benzyl 6-(1H-1,2,4-triazol-1-yl)nicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for benzyl 6-(1H-1,2,4-triazol-1-yl)nicotinate?
Yes, KEHONG BIO provides custom synthesis services for benzyl 6-(1H-1,2,4-triazol-1-yl)nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.