Tetramethyl 1,1'-(1,8-naphthylene)bis(1,2,3-triazole-4,5-dicarboxylate)
TL;DR: Tetramethyl 1,1'-(1,8-naphthylene)bis(1,2,3-triazole-4,5-dicarboxylate) (CAS 91165-61-6) is a chemical compound with molecular formula C22H18N6O8 and molecular weight 494.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 1-[8-[4,5-bis(methoxycarbonyl)triazol-1-yl]naphthalen-1-yl]triazole-4,5-dicarboxylate
Also Known As: Tetramethyl 1,1'-(1,8-naphthylene)bis(1,2,3-triazole-4,5-dicarboxylate), 1,1 -(Naphthalene-1,8-diyl)bis(1H-1,2,3-triazole-4,5-dicarboxylic acid dimethyl) ester, tetramethyl 1,1'-naphthalene-1,8-diylbis(1h-1,2,3-triazole-4,5-dicarboxylate), 4,5-dimethyl 1-{8-[4,5-bis(methoxycarbonyl)-1H-1,2,3-triazol-1-yl]naphthalen-1-yl}-1H-1,2,3-triazole-4,5-dicarboxylate, dimethyl 1-[8-[4,5-bis(methoxycarbonyl)triazol-1-yl]naphthalen-1-yl]triazole-4,5-dicarboxylate
| Molecular Formula | C22H18N6O8 |
|---|---|
| Molecular Weight | 494.12 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 167.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 10 |
| Exact Mass | 494.11862 |
| Heavy Atoms | 36 |
| Complexity | 794.0 |
Chemical Identifiers
| CAS Number | 91165-61-6 |
|---|---|
| SMILES | COC(=O)C1=C(N(N=N1)C2=CC=CC3=C2C(=CC=C3)N4C(=C(N=N4)C(=O)OC)C(=O)OC)C(=O)OC |
| InChIKey | KSQOVAMNNVXTGP-UHFFFAOYSA-N |
Product Overview
Tetramethyl 1,1'-(1,8-naphthylene)bis(1,2,3-triazole-4,5-dicarboxylate) (CAS 91165-61-6), with molecular formula C22H18N6O8 and molecular weight 494.12 g/mol. IUPAC: dimethyl 1-[8-[4,5-bis(methoxycarbonyl)triazol-1-yl]naphthalen-1-yl]triazole-4,5-dicarboxylate.
Chemical Property Profile of Tetramethyl 1,1'-(1,8-naphthylene)bis(1,2,3-triazole-4,5-dicarboxylate)
Property Insights of Tetramethyl 1,1'-(1,8-naphthylene)bis(1,2,3-triazole-4,5-dicarboxylate)
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tetramethyl 1,1'-(1,8-naphthylene)bis(1,2,3-triazole-4,5-dicarboxylate). The TPSA of 167.0 Ų indicates high polarity, suggesting Tetramethyl 1,1'-(1,8-naphthylene)bis(1,2,3-triazole-4,5-dicarboxylate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Tetramethyl 1,1'-(1,8-naphthylene)bis(1,2,3-triazole-4,5-dicarboxylate) has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tetramethyl 1,1'-(1,8-naphthylene)bis(1,2,3-triazole-4,5-dicarboxylate)?
The CAS number of Tetramethyl 1,1'-(1,8-naphthylene)bis(1,2,3-triazole-4,5-dicarboxylate) is 91165-61-6.
What is the molecular formula of Tetramethyl 1,1'-(1,8-naphthylene)bis(1,2,3-triazole-4,5-dicarboxylate)?
The molecular formula of Tetramethyl 1,1'-(1,8-naphthylene)bis(1,2,3-triazole-4,5-dicarboxylate) is C22H18N6O8.
What is the molecular weight of Tetramethyl 1,1'-(1,8-naphthylene)bis(1,2,3-triazole-4,5-dicarboxylate)?
The molecular weight of Tetramethyl 1,1'-(1,8-naphthylene)bis(1,2,3-triazole-4,5-dicarboxylate) is 494.12 g/mol.
Where can I buy Tetramethyl 1,1'-(1,8-naphthylene)bis(1,2,3-triazole-4,5-dicarboxylate)?
You can request a quote for Tetramethyl 1,1'-(1,8-naphthylene)bis(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 Tetramethyl 1,1'-(1,8-naphthylene)bis(1,2,3-triazole-4,5-dicarboxylate)?
Yes, KEHONG BIO provides custom synthesis services for Tetramethyl 1,1'-(1,8-naphthylene)bis(1,2,3-triazole-4,5-dicarboxylate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.