![methyl 3-[4-(2-pyridinylcarbonyl)-1H-1,2,3-triazol-1-yl]-2-thiophenecarboxylate structure](/static/products/6918/691869-08-6.webp)
methyl 3-[4-(2-pyridinylcarbonyl)-1H-1,2,3-triazol-1-yl]-2-thiophenecarboxylate
TL;DR: methyl 3-[4-(2-pyridinylcarbonyl)-1H-1,2,3-triazol-1-yl]-2-thiophenecarboxylate (CAS 691869-08-6) is a chemical compound with molecular formula C14H10N4O3S and molecular weight 314.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[4-(pyridine-2-carbonyl)triazol-1-yl]thiophene-2-carboxylate
Also Known As: methyl 3-[4-(2-pyridinylcarbonyl)-1H-1,2,3-triazol-1-yl]-2-thiophenecarboxylate, methyl 3-[4-(pyridine-2-carbonyl)-1H-1,2,3-triazol-1-yl]thiophene-2-carboxylate, methyl 3-[4-(pyridine-2-carbonyl)triazol-1-yl]thiophene-2-carboxylate, 11R-0818, methyl 3-[4-(pyridine-2-carbonyl)-1,2,3-triazol-1-yl]thiophene-2-carboxylate
| Molecular Formula | C14H10N4O3S |
|---|---|
| Molecular Weight | 314.05 g/mol |
| LogP | 1.7414 |
| Topological Polar Surface Area | 86.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.04736 |
| Heavy Atoms | 22 |
| Complexity | 825.49774 |
Chemical Identifiers
| CAS Number | 691869-08-6 |
|---|---|
| SMILES | COC(=O)C1=C(C=CS1)N2C=C(N=N2)C(=O)C3=CC=CC=N3 |
Product Overview
methyl 3-[4-(2-pyridinylcarbonyl)-1H-1,2,3-triazol-1-yl]-2-thiophenecarboxylate (CAS 691869-08-6), with molecular formula C14H10N4O3S and molecular weight 314.05 g/mol. IUPAC: methyl 3-[4-(pyridine-2-carbonyl)triazol-1-yl]thiophene-2-carboxylate.
Chemical Property Profile of methyl 3-[4-(2-pyridinylcarbonyl)-1H-1,2,3-triazol-1-yl]-2-thiophenecarboxylate
Property Insights of methyl 3-[4-(2-pyridinylcarbonyl)-1H-1,2,3-triazol-1-yl]-2-thiophenecarboxylate
The XLogP value of 1.7414 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3-[4-(2-pyridinylcarbonyl)-1H-1,2,3-triazol-1-yl]-2-thiophenecarboxylate. The TPSA of 86.97 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-[4-(2-pyridinylcarbonyl)-1H-1,2,3-triazol-1-yl]-2-thiophenecarboxylate. Following Lipinski's Rule of Five, methyl 3-[4-(2-pyridinylcarbonyl)-1H-1,2,3-triazol-1-yl]-2-thiophenecarboxylate has 0 hydrogen bond donor(s) and 7 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 methyl 3-[4-(2-pyridinylcarbonyl)-1H-1,2,3-triazol-1-yl]-2-thiophenecarboxylate?
The CAS number of methyl 3-[4-(2-pyridinylcarbonyl)-1H-1,2,3-triazol-1-yl]-2-thiophenecarboxylate is 691869-08-6.
What is the molecular formula of methyl 3-[4-(2-pyridinylcarbonyl)-1H-1,2,3-triazol-1-yl]-2-thiophenecarboxylate?
The molecular formula of methyl 3-[4-(2-pyridinylcarbonyl)-1H-1,2,3-triazol-1-yl]-2-thiophenecarboxylate is C14H10N4O3S.
What is the molecular weight of methyl 3-[4-(2-pyridinylcarbonyl)-1H-1,2,3-triazol-1-yl]-2-thiophenecarboxylate?
The molecular weight of methyl 3-[4-(2-pyridinylcarbonyl)-1H-1,2,3-triazol-1-yl]-2-thiophenecarboxylate is 314.05 g/mol.
Where can I buy methyl 3-[4-(2-pyridinylcarbonyl)-1H-1,2,3-triazol-1-yl]-2-thiophenecarboxylate?
You can request a quote for methyl 3-[4-(2-pyridinylcarbonyl)-1H-1,2,3-triazol-1-yl]-2-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3-[4-(2-pyridinylcarbonyl)-1H-1,2,3-triazol-1-yl]-2-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-[4-(2-pyridinylcarbonyl)-1H-1,2,3-triazol-1-yl]-2-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.