2-propynyl 6-(1H-1,2,4-triazol-1-yl)nicotinate
TL;DR: 2-propynyl 6-(1H-1,2,4-triazol-1-yl)nicotinate (CAS 400080-47-9) is a chemical compound with molecular formula C11H8N4O2 and molecular weight 228.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-ynyl 6-(1,2,4-triazol-1-yl)pyridine-3-carboxylate
Also Known As: 2-propynyl 6-(1H-1,2,4-triazol-1-yl)nicotinate, prop-2-ynyl 6-(1,2,4-triazol-1-yl)pyridine-3-carboxylate, prop-2-yn-1-yl 6-(1H-1,2,4-triazol-1-yl)pyridine-3-carboxylate, prop-2-yn-1-yl6-(1H-1,2,4-triazol-1-yl)pyridine-3-carboxylate
| Molecular Formula | C11H8N4O2 |
|---|---|
| Molecular Weight | 228.06 g/mol |
| LogP | 0.4523 |
| Topological Polar Surface Area | 69.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 228.06473 |
| Heavy Atoms | 17 |
| Complexity | 539.85046 |
Chemical Identifiers
| CAS Number | 400080-47-9 |
|---|---|
| SMILES | C#CCOC(=O)C1=CN=C(C=C1)N2C=NC=N2 |
Product Overview
2-propynyl 6-(1H-1,2,4-triazol-1-yl)nicotinate (CAS 400080-47-9), with molecular formula C11H8N4O2 and molecular weight 228.06 g/mol. IUPAC: prop-2-ynyl 6-(1,2,4-triazol-1-yl)pyridine-3-carboxylate.
Chemical Property Profile of 2-propynyl 6-(1H-1,2,4-triazol-1-yl)nicotinate
Property Insights of 2-propynyl 6-(1H-1,2,4-triazol-1-yl)nicotinate
The XLogP value of 0.4523 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-propynyl 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 2-propynyl 6-(1H-1,2,4-triazol-1-yl)nicotinate. Following Lipinski's Rule of Five, 2-propynyl 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 2-propynyl 6-(1H-1,2,4-triazol-1-yl)nicotinate?
The CAS number of 2-propynyl 6-(1H-1,2,4-triazol-1-yl)nicotinate is 400080-47-9.
What is the molecular formula of 2-propynyl 6-(1H-1,2,4-triazol-1-yl)nicotinate?
The molecular formula of 2-propynyl 6-(1H-1,2,4-triazol-1-yl)nicotinate is C11H8N4O2.
What is the molecular weight of 2-propynyl 6-(1H-1,2,4-triazol-1-yl)nicotinate?
The molecular weight of 2-propynyl 6-(1H-1,2,4-triazol-1-yl)nicotinate is 228.06 g/mol.
Where can I buy 2-propynyl 6-(1H-1,2,4-triazol-1-yl)nicotinate?
You can request a quote for 2-propynyl 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 2-propynyl 6-(1H-1,2,4-triazol-1-yl)nicotinate?
Yes, KEHONG BIO provides custom synthesis services for 2-propynyl 6-(1H-1,2,4-triazol-1-yl)nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.