phenyl 6-(1H-1,2,4-triazol-1-yl)nicotinate
TL;DR: phenyl 6-(1H-1,2,4-triazol-1-yl)nicotinate (CAS 338408-19-8) is a chemical compound with molecular formula C14H10N4O2 and molecular weight 266.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl 6-(1,2,4-triazol-1-yl)pyridine-3-carboxylate
Also Known As: phenyl 6-(1H-1,2,4-triazol-1-yl)nicotinate, 3G-364S, phenyl 6-(1,2,4-triazol-1-yl)pyridine-3-carboxylate, phenyl 6-(1H-1,2,4-triazol-1-yl)pyridine-3-carboxylate
| Molecular Formula | C14H10N4O2 |
|---|---|
| Molecular Weight | 266.08 g/mol |
| LogP | 1.8815 |
| Topological Polar Surface Area | 69.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 266.08038 |
| Heavy Atoms | 20 |
| Complexity | 693.8084 |
Chemical Identifiers
| CAS Number | 338408-19-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC(=O)C2=CN=C(C=C2)N3C=NC=N3 |
Product Overview
phenyl 6-(1H-1,2,4-triazol-1-yl)nicotinate (CAS 338408-19-8), with molecular formula C14H10N4O2 and molecular weight 266.08 g/mol. IUPAC: phenyl 6-(1,2,4-triazol-1-yl)pyridine-3-carboxylate.
Chemical Property Profile of phenyl 6-(1H-1,2,4-triazol-1-yl)nicotinate
Property Insights of phenyl 6-(1H-1,2,4-triazol-1-yl)nicotinate
The XLogP value of 1.8815 suggests moderate lipophilicity, balancing water solubility and membrane permeability for phenyl 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 phenyl 6-(1H-1,2,4-triazol-1-yl)nicotinate. Following Lipinski's Rule of Five, phenyl 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 phenyl 6-(1H-1,2,4-triazol-1-yl)nicotinate?
The CAS number of phenyl 6-(1H-1,2,4-triazol-1-yl)nicotinate is 338408-19-8.
What is the molecular formula of phenyl 6-(1H-1,2,4-triazol-1-yl)nicotinate?
The molecular formula of phenyl 6-(1H-1,2,4-triazol-1-yl)nicotinate is C14H10N4O2.
What is the molecular weight of phenyl 6-(1H-1,2,4-triazol-1-yl)nicotinate?
The molecular weight of phenyl 6-(1H-1,2,4-triazol-1-yl)nicotinate is 266.08 g/mol.
Where can I buy phenyl 6-(1H-1,2,4-triazol-1-yl)nicotinate?
You can request a quote for phenyl 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 phenyl 6-(1H-1,2,4-triazol-1-yl)nicotinate?
Yes, KEHONG BIO provides custom synthesis services for phenyl 6-(1H-1,2,4-triazol-1-yl)nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.