![dimethyl 1-[2-(methoxycarbonyl)-3-thienyl]-1H-1,2,3-triazole-4,5-dicarboxylate structure](/static/products/861/861210-49-3.png)
dimethyl 1-[2-(methoxycarbonyl)-3-thienyl]-1H-1,2,3-triazole-4,5-dicarboxylate
TL;DR: dimethyl 1-[2-(methoxycarbonyl)-3-thienyl]-1H-1,2,3-triazole-4,5-dicarboxylate (CAS 861210-49-3) is a chemical compound with molecular formula C12H11N3O6S and molecular weight 325.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 1-(2-methoxycarbonylthiophen-3-yl)triazole-4,5-dicarboxylate
Also Known As: dimethyl 1-[2-(methoxycarbonyl)-3-thienyl]-1H-1,2,3-triazole-4,5-dicarboxylate, dimethyl 1-(2-methoxycarbonylthiophen-3-yl)triazole-4,5-dicarboxylate, 4,5-dimethyl 1-[2-(methoxycarbonyl)thiophen-3-yl]-1H-1,2,3-triazole-4,5-dicarboxylate, dimethyl 1-(2-methoxycarbonyl-3-thienyl)triazole-4,5-dicarboxylate, 4,5-dimethyl1-[2-(methoxycarbonyl)thiophen-3-yl]-1H-1,2,3-triazole-4,5-dicarboxylate
| Molecular Formula | C12H11N3O6S |
|---|---|
| Molecular Weight | 325.04 g/mol |
| LogP | 0.6886 |
| Topological Polar Surface Area | 109.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 325.03687 |
| Heavy Atoms | 22 |
| Complexity | 735.0522 |
Chemical Identifiers
| CAS Number | 861210-49-3 |
|---|---|
| SMILES | COC(=O)C1=C(N(N=N1)C2=C(SC=C2)C(=O)OC)C(=O)OC |
Product Overview
dimethyl 1-[2-(methoxycarbonyl)-3-thienyl]-1H-1,2,3-triazole-4,5-dicarboxylate (CAS 861210-49-3), with molecular formula C12H11N3O6S and molecular weight 325.04 g/mol. IUPAC: dimethyl 1-(2-methoxycarbonylthiophen-3-yl)triazole-4,5-dicarboxylate.
Chemical Property Profile of dimethyl 1-[2-(methoxycarbonyl)-3-thienyl]-1H-1,2,3-triazole-4,5-dicarboxylate
Property Insights of dimethyl 1-[2-(methoxycarbonyl)-3-thienyl]-1H-1,2,3-triazole-4,5-dicarboxylate
The XLogP value of 0.6886 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dimethyl 1-[2-(methoxycarbonyl)-3-thienyl]-1H-1,2,3-triazole-4,5-dicarboxylate. The TPSA of 109.61 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl 1-[2-(methoxycarbonyl)-3-thienyl]-1H-1,2,3-triazole-4,5-dicarboxylate. Following Lipinski's Rule of Five, dimethyl 1-[2-(methoxycarbonyl)-3-thienyl]-1H-1,2,3-triazole-4,5-dicarboxylate has 0 hydrogen bond donor(s) and 9 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 dimethyl 1-[2-(methoxycarbonyl)-3-thienyl]-1H-1,2,3-triazole-4,5-dicarboxylate?
The CAS number of dimethyl 1-[2-(methoxycarbonyl)-3-thienyl]-1H-1,2,3-triazole-4,5-dicarboxylate is 861210-49-3.
What is the molecular formula of dimethyl 1-[2-(methoxycarbonyl)-3-thienyl]-1H-1,2,3-triazole-4,5-dicarboxylate?
The molecular formula of dimethyl 1-[2-(methoxycarbonyl)-3-thienyl]-1H-1,2,3-triazole-4,5-dicarboxylate is C12H11N3O6S.
What is the molecular weight of dimethyl 1-[2-(methoxycarbonyl)-3-thienyl]-1H-1,2,3-triazole-4,5-dicarboxylate?
The molecular weight of dimethyl 1-[2-(methoxycarbonyl)-3-thienyl]-1H-1,2,3-triazole-4,5-dicarboxylate is 325.04 g/mol.
Where can I buy dimethyl 1-[2-(methoxycarbonyl)-3-thienyl]-1H-1,2,3-triazole-4,5-dicarboxylate?
You can request a quote for dimethyl 1-[2-(methoxycarbonyl)-3-thienyl]-1H-1,2,3-triazole-4,5-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dimethyl 1-[2-(methoxycarbonyl)-3-thienyl]-1H-1,2,3-triazole-4,5-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 1-[2-(methoxycarbonyl)-3-thienyl]-1H-1,2,3-triazole-4,5-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.