Diethyl 1-(8-(5-ethoxycarbonyl-1,2,3-triazol-1-yl)-1-naphthyl)-1,2,3-triazole-4,5-dicarboxylate
TL;DR: Diethyl 1-(8-(5-ethoxycarbonyl-1,2,3-triazol-1-yl)-1-naphthyl)-1,2,3-triazole-4,5-dicarboxylate (CAS 91165-74-1) is a chemical compound with molecular formula C23H22N6O6 and molecular weight 478.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 1-[8-(5-ethoxycarbonyltriazol-1-yl)naphthalen-1-yl]triazole-4,5-dicarboxylate
Also Known As: Diethyl 1-(8-(5-ethoxycarbonyl-1,2,3-triazol-1-yl)-1-naphthyl)-1,2,3-triazole-4,5-dicarboxylate, diethyl 1-[8-(5-ethoxycarbonyltriazol-1-yl)naphthalen-1-yl]triazole-4,5-dicarboxylate, 1-[8-[5- -1H-1,2,3-triazol-1-yl]naphthalen-1-yl]-1H-1,2,3-triazole-4,5-dicarboxylicaciddiethylester, 1-[8-[5-(Ethoxycarbonyl)-1H-1,2,3-triazol-1-yl]naphthalen-1-yl]-1H-1,2,3-triazole-4,5-dicarboxylic acid diethyl ester, 4,5-diethyl 1-{8-[5-(ethoxycarbonyl)-1H-1,2,3-triazol-1-yl]naphthalen-1-yl}-1H-1,2,3-triazole-4,5-dicarboxylate
| Molecular Formula | C23H22N6O6 |
|---|---|
| Molecular Weight | 478.16 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 140.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 478.1601 |
| Heavy Atoms | 35 |
| Complexity | 771.0 |
Chemical Identifiers
| CAS Number | 91165-74-1 |
|---|---|
| SMILES | CCOC(=O)C1=CN=NN1C2=CC=CC3=C2C(=CC=C3)N4C(=C(N=N4)C(=O)OCC)C(=O)OCC |
| InChIKey | OKHCVKIUMNUECC-UHFFFAOYSA-N |
Product Overview
Diethyl 1-(8-(5-ethoxycarbonyl-1,2,3-triazol-1-yl)-1-naphthyl)-1,2,3-triazole-4,5-dicarboxylate (CAS 91165-74-1), with molecular formula C23H22N6O6 and molecular weight 478.16 g/mol. IUPAC: diethyl 1-[8-(5-ethoxycarbonyltriazol-1-yl)naphthalen-1-yl]triazole-4,5-dicarboxylate.
Chemical Property Profile of Diethyl 1-(8-(5-ethoxycarbonyl-1,2,3-triazol-1-yl)-1-naphthyl)-1,2,3-triazole-4,5-dicarboxylate
Property Insights of Diethyl 1-(8-(5-ethoxycarbonyl-1,2,3-triazol-1-yl)-1-naphthyl)-1,2,3-triazole-4,5-dicarboxylate
The XLogP value of 3.7 indicates that Diethyl 1-(8-(5-ethoxycarbonyl-1,2,3-triazol-1-yl)-1-naphthyl)-1,2,3-triazole-4,5-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 140.0 Ų indicates high polarity, suggesting Diethyl 1-(8-(5-ethoxycarbonyl-1,2,3-triazol-1-yl)-1-naphthyl)-1,2,3-triazole-4,5-dicarboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Diethyl 1-(8-(5-ethoxycarbonyl-1,2,3-triazol-1-yl)-1-naphthyl)-1,2,3-triazole-4,5-dicarboxylate has 0 hydrogen bond donor(s) and 10 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 Diethyl 1-(8-(5-ethoxycarbonyl-1,2,3-triazol-1-yl)-1-naphthyl)-1,2,3-triazole-4,5-dicarboxylate?
The CAS number of Diethyl 1-(8-(5-ethoxycarbonyl-1,2,3-triazol-1-yl)-1-naphthyl)-1,2,3-triazole-4,5-dicarboxylate is 91165-74-1.
What is the molecular formula of Diethyl 1-(8-(5-ethoxycarbonyl-1,2,3-triazol-1-yl)-1-naphthyl)-1,2,3-triazole-4,5-dicarboxylate?
The molecular formula of Diethyl 1-(8-(5-ethoxycarbonyl-1,2,3-triazol-1-yl)-1-naphthyl)-1,2,3-triazole-4,5-dicarboxylate is C23H22N6O6.
What is the molecular weight of Diethyl 1-(8-(5-ethoxycarbonyl-1,2,3-triazol-1-yl)-1-naphthyl)-1,2,3-triazole-4,5-dicarboxylate?
The molecular weight of Diethyl 1-(8-(5-ethoxycarbonyl-1,2,3-triazol-1-yl)-1-naphthyl)-1,2,3-triazole-4,5-dicarboxylate is 478.16 g/mol.
Where can I buy Diethyl 1-(8-(5-ethoxycarbonyl-1,2,3-triazol-1-yl)-1-naphthyl)-1,2,3-triazole-4,5-dicarboxylate?
You can request a quote for Diethyl 1-(8-(5-ethoxycarbonyl-1,2,3-triazol-1-yl)-1-naphthyl)-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 Diethyl 1-(8-(5-ethoxycarbonyl-1,2,3-triazol-1-yl)-1-naphthyl)-1,2,3-triazole-4,5-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 1-(8-(5-ethoxycarbonyl-1,2,3-triazol-1-yl)-1-naphthyl)-1,2,3-triazole-4,5-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.