dimethyl 1-(4-methylphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate
TL;DR: dimethyl 1-(4-methylphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate (CAS 166031-15-8) is a chemical compound with molecular formula C13H13N3O4 and molecular weight 275.0906 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dimethyl 1-(4-methylphenyl)triazole-4,5-dicarboxylate
Also Known As: dimethyl 1-(4-methylphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate, dimethyl 1-(4-methylphenyl)triazole-4,5-dicarboxylate, Dimethyl 1-(p-tolyl)-1H-1,2,3-triazole-4,5-dicarboxylate, dimethyl 1-(p-tolyl)triazole-4,5-dicarboxylate, 4,5-dimethyl 1-(4-methylphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate
Technical Specifications
| Molecular Formula | C13H13N3O4 |
| Molecular Weight | 275.0906 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 83.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 275.0906 Da |
| Heavy Atoms | 20 |
| Complexity | 369.0 |
| SMILES | CC1=CC=C(C=C1)N2C(=C(N=N2)C(=O)OC)C(=O)OC |
| InChIKey | JILJLIYKAMMNLZ-UHFFFAOYSA-N |
Chemical Property Profile of dimethyl 1-(4-methylphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate
Property Insights of dimethyl 1-(4-methylphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dimethyl 1-(4-methylphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate. The TPSA of 83.3 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl 1-(4-methylphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate. Following Lipinski's Rule of Five, dimethyl 1-(4-methylphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of dimethyl 1-(4-methylphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate?
The CAS number of dimethyl 1-(4-methylphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate is 166031-15-8.
What is the molecular formula of dimethyl 1-(4-methylphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate?
The molecular formula of dimethyl 1-(4-methylphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate is C13H13N3O4.
What is the molecular weight of dimethyl 1-(4-methylphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate?
The molecular weight of dimethyl 1-(4-methylphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate is 275.0906 g/mol.
Where can I buy dimethyl 1-(4-methylphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate?
You can request a quote for dimethyl 1-(4-methylphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for dimethyl 1-(4-methylphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate?
Yes, CoreyChem provides custom synthesis services for dimethyl 1-(4-methylphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.