methyl 3-(4-phenyl-1H-1,2,3-triazol-1-yl)-2-thiophenecarboxylate
TL;DR: methyl 3-(4-phenyl-1H-1,2,3-triazol-1-yl)-2-thiophenecarboxylate (CAS 439097-19-5) is a chemical compound with molecular formula C14H11N3O2S and molecular weight 285.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(4-phenyltriazol-1-yl)thiophene-2-carboxylate
Also Known As: methyl 3-(4-phenyl-1H-1,2,3-triazol-1-yl)-2-thiophenecarboxylate, methyl 3-(4-phenyl-1H-1,2,3-triazol-1-yl)thiophene-2-carboxylate, methyl 3-(4-phenyltriazol-1-yl)thiophene-2-carboxylate, 10R-0829, methyl 3-(4-phenyl-1,2,3-triazol-1-yl)thiophene-2-carboxylate
| Molecular Formula | C14H11N3O2S |
|---|---|
| Molecular Weight | 285.06 g/mol |
| LogP | 2.7824 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 285.0572 |
| Heavy Atoms | 20 |
| Complexity | 733.7292 |
Chemical Identifiers
| CAS Number | 439097-19-5 |
|---|---|
| SMILES | COC(=O)C1=C(C=CS1)N2C=C(N=N2)C3=CC=CC=C3 |
Product Overview
methyl 3-(4-phenyl-1H-1,2,3-triazol-1-yl)-2-thiophenecarboxylate (CAS 439097-19-5), with molecular formula C14H11N3O2S and molecular weight 285.06 g/mol. IUPAC: methyl 3-(4-phenyltriazol-1-yl)thiophene-2-carboxylate.
Chemical Property Profile of methyl 3-(4-phenyl-1H-1,2,3-triazol-1-yl)-2-thiophenecarboxylate
Property Insights of methyl 3-(4-phenyl-1H-1,2,3-triazol-1-yl)-2-thiophenecarboxylate
The XLogP value of 2.7824 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3-(4-phenyl-1H-1,2,3-triazol-1-yl)-2-thiophenecarboxylate. With a topological polar surface area (TPSA) of 57.01 Ų, methyl 3-(4-phenyl-1H-1,2,3-triazol-1-yl)-2-thiophenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 3-(4-phenyl-1H-1,2,3-triazol-1-yl)-2-thiophenecarboxylate 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 methyl 3-(4-phenyl-1H-1,2,3-triazol-1-yl)-2-thiophenecarboxylate?
The CAS number of methyl 3-(4-phenyl-1H-1,2,3-triazol-1-yl)-2-thiophenecarboxylate is 439097-19-5.
What is the molecular formula of methyl 3-(4-phenyl-1H-1,2,3-triazol-1-yl)-2-thiophenecarboxylate?
The molecular formula of methyl 3-(4-phenyl-1H-1,2,3-triazol-1-yl)-2-thiophenecarboxylate is C14H11N3O2S.
What is the molecular weight of methyl 3-(4-phenyl-1H-1,2,3-triazol-1-yl)-2-thiophenecarboxylate?
The molecular weight of methyl 3-(4-phenyl-1H-1,2,3-triazol-1-yl)-2-thiophenecarboxylate is 285.06 g/mol.
Where can I buy methyl 3-(4-phenyl-1H-1,2,3-triazol-1-yl)-2-thiophenecarboxylate?
You can request a quote for methyl 3-(4-phenyl-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-phenyl-1H-1,2,3-triazol-1-yl)-2-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-(4-phenyl-1H-1,2,3-triazol-1-yl)-2-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.