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benzyl 1-[2-(methoxycarbonyl)-3-thienyl]-5-methyl-1H-1,2,3-triazole-4-carboxylate
TL;DR: benzyl 1-[2-(methoxycarbonyl)-3-thienyl]-5-methyl-1H-1,2,3-triazole-4-carboxylate (CAS 692733-14-5) is a chemical compound with molecular formula C17H15N3O4S and molecular weight 357.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 1-(2-methoxycarbonylthiophen-3-yl)-5-methyltriazole-4-carboxylate
Also Known As: benzyl 1-[2-(methoxycarbonyl)-3-thienyl]-5-methyl-1H-1,2,3-triazole-4-carboxylate, benzyl 1-(2-methoxycarbonylthiophen-3-yl)-5-methyltriazole-4-carboxylate, 7T-0821, benzyl 1-[2-(methoxycarbonyl)thiophen-3-yl]-5-methyl-1H-1,2,3-triazole-4-carboxylate, benzyl 1-(2-methoxycarbonyl-3-thienyl)-5-methyl-triazole-4-carboxylate
| Molecular Formula | C17H15N3O4S |
|---|---|
| Molecular Weight | 357.08 g/mol |
| LogP | 2.78082 |
| Topological Polar Surface Area | 83.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 357.07834 |
| Heavy Atoms | 25 |
| Complexity | 901.77106 |
Chemical Identifiers
| CAS Number | 692733-14-5 |
|---|---|
| SMILES | CC1=C(N=NN1C2=C(SC=C2)C(=O)OC)C(=O)OCC3=CC=CC=C3 |
Product Overview
benzyl 1-[2-(methoxycarbonyl)-3-thienyl]-5-methyl-1H-1,2,3-triazole-4-carboxylate (CAS 692733-14-5), with molecular formula C17H15N3O4S and molecular weight 357.08 g/mol. IUPAC: benzyl 1-(2-methoxycarbonylthiophen-3-yl)-5-methyltriazole-4-carboxylate.
Chemical Property Profile of benzyl 1-[2-(methoxycarbonyl)-3-thienyl]-5-methyl-1H-1,2,3-triazole-4-carboxylate
Property Insights of benzyl 1-[2-(methoxycarbonyl)-3-thienyl]-5-methyl-1H-1,2,3-triazole-4-carboxylate
The XLogP value of 2.78082 suggests moderate lipophilicity, balancing water solubility and membrane permeability for benzyl 1-[2-(methoxycarbonyl)-3-thienyl]-5-methyl-1H-1,2,3-triazole-4-carboxylate. The TPSA of 83.31 Ų falls within the moderate polarity range, balancing permeability and solubility for benzyl 1-[2-(methoxycarbonyl)-3-thienyl]-5-methyl-1H-1,2,3-triazole-4-carboxylate. Following Lipinski's Rule of Five, benzyl 1-[2-(methoxycarbonyl)-3-thienyl]-5-methyl-1H-1,2,3-triazole-4-carboxylate 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 benzyl 1-[2-(methoxycarbonyl)-3-thienyl]-5-methyl-1H-1,2,3-triazole-4-carboxylate?
The CAS number of benzyl 1-[2-(methoxycarbonyl)-3-thienyl]-5-methyl-1H-1,2,3-triazole-4-carboxylate is 692733-14-5.
What is the molecular formula of benzyl 1-[2-(methoxycarbonyl)-3-thienyl]-5-methyl-1H-1,2,3-triazole-4-carboxylate?
The molecular formula of benzyl 1-[2-(methoxycarbonyl)-3-thienyl]-5-methyl-1H-1,2,3-triazole-4-carboxylate is C17H15N3O4S.
What is the molecular weight of benzyl 1-[2-(methoxycarbonyl)-3-thienyl]-5-methyl-1H-1,2,3-triazole-4-carboxylate?
The molecular weight of benzyl 1-[2-(methoxycarbonyl)-3-thienyl]-5-methyl-1H-1,2,3-triazole-4-carboxylate is 357.08 g/mol.
Where can I buy benzyl 1-[2-(methoxycarbonyl)-3-thienyl]-5-methyl-1H-1,2,3-triazole-4-carboxylate?
You can request a quote for benzyl 1-[2-(methoxycarbonyl)-3-thienyl]-5-methyl-1H-1,2,3-triazole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for benzyl 1-[2-(methoxycarbonyl)-3-thienyl]-5-methyl-1H-1,2,3-triazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for benzyl 1-[2-(methoxycarbonyl)-3-thienyl]-5-methyl-1H-1,2,3-triazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.