![methyl 3-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,3-triazol-1-yl}-2-thiophenecarboxylate structure](/static/products/860/860650-83-5.png)
methyl 3-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,3-triazol-1-yl}-2-thiophenecarboxylate
TL;DR: methyl 3-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,3-triazol-1-yl}-2-thiophenecarboxylate (CAS 860650-83-5) is a chemical compound with molecular formula C14H8ClF3N4O2S and molecular weight 388.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]triazol-1-yl]thiophene-2-carboxylate
Also Known As: methyl 3-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,3-triazol-1-yl}-2-thiophenecarboxylate, methyl 3-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1H-1,2,3-triazol-1-yl}thiophene-2-carboxylate, methyl 3-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]triazol-1-yl]thiophene-2-carboxylate, methyl 3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]triazol-1-yl]thiophene-2-carboxylate, methyl 3-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,2,3-triazol-1-yl}thiophene-2-carboxylate
| Molecular Formula | C14H8ClF3N4O2S |
|---|---|
| Molecular Weight | 388.00 g/mol |
| LogP | 3.8496 |
| Topological Polar Surface Area | 69.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 388.00085 |
| Heavy Atoms | 25 |
| Complexity | 938.3025 |
Chemical Identifiers
| CAS Number | 860650-83-5 |
|---|---|
| SMILES | COC(=O)C1=C(C=CS1)N2C=C(N=N2)C3=C(C=C(C=N3)C(F)(F)F)Cl |
Product Overview
methyl 3-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,3-triazol-1-yl}-2-thiophenecarboxylate (CAS 860650-83-5), with molecular formula C14H8ClF3N4O2S and molecular weight 388.00 g/mol. IUPAC: methyl 3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]triazol-1-yl]thiophene-2-carboxylate.
Chemical Property Profile of methyl 3-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,3-triazol-1-yl}-2-thiophenecarboxylate
Property Insights of methyl 3-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,3-triazol-1-yl}-2-thiophenecarboxylate
The XLogP value of 3.8496 indicates that methyl 3-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,3-triazol-1-yl}-2-thiophenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.9 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,3-triazol-1-yl}-2-thiophenecarboxylate. Following Lipinski's Rule of Five, methyl 3-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,3-triazol-1-yl}-2-thiophenecarboxylate has 0 hydrogen bond donor(s) and 6 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-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,3-triazol-1-yl}-2-thiophenecarboxylate?
The CAS number of methyl 3-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,3-triazol-1-yl}-2-thiophenecarboxylate is 860650-83-5.
What is the molecular formula of methyl 3-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,3-triazol-1-yl}-2-thiophenecarboxylate?
The molecular formula of methyl 3-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,3-triazol-1-yl}-2-thiophenecarboxylate is C14H8ClF3N4O2S.
What is the molecular weight of methyl 3-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,3-triazol-1-yl}-2-thiophenecarboxylate?
The molecular weight of methyl 3-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,3-triazol-1-yl}-2-thiophenecarboxylate is 388.00 g/mol.
Where can I buy methyl 3-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,3-triazol-1-yl}-2-thiophenecarboxylate?
You can request a quote for methyl 3-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-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-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,3-triazol-1-yl}-2-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,3-triazol-1-yl}-2-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.