ethyl 1-(3-methylbenzyl)-1H-1,2,3-triazole-4-carboxylate
TL;DR: ethyl 1-(3-methylbenzyl)-1H-1,2,3-triazole-4-carboxylate (CAS 126800-27-9) is a chemical compound with molecular formula C13H15N3O2 and molecular weight 245.11642 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 1-[(3-methylphenyl)methyl]triazole-4-carboxylate
Also Known As: ethyl 1-(3-methylbenzyl)-1H-1,2,3-triazole-4-carboxylate, ethyl 1-[(3-methylphenyl)methyl]-1H-1,2,3-triazole-4-carboxylate, ethyl 1-[(3-methylphenyl)methyl]triazole-4-carboxylate, J3.757.681F, AP-006/40842325
Technical Specifications
| Molecular Formula | C13H15N3O2 |
| Molecular Weight | 245.11642 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 57.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 245.11642 Da |
| Heavy Atoms | 18 |
| Complexity | 285.0 |
| SMILES | CCOC(=O)C1=CN(N=N1)CC2=CC=CC(=C2)C |
| InChIKey | FDMOSFOMUJIVII-UHFFFAOYSA-N |
Chemical Property Profile of ethyl 1-(3-methylbenzyl)-1H-1,2,3-triazole-4-carboxylate
Property Insights of ethyl 1-(3-methylbenzyl)-1H-1,2,3-triazole-4-carboxylate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 1-(3-methylbenzyl)-1H-1,2,3-triazole-4-carboxylate. With a topological polar surface area (TPSA) of 57.0 Ų, ethyl 1-(3-methylbenzyl)-1H-1,2,3-triazole-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 1-(3-methylbenzyl)-1H-1,2,3-triazole-4-carboxylate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of ethyl 1-(3-methylbenzyl)-1H-1,2,3-triazole-4-carboxylate?
The CAS number of ethyl 1-(3-methylbenzyl)-1H-1,2,3-triazole-4-carboxylate is 126800-27-9.
What is the molecular formula of ethyl 1-(3-methylbenzyl)-1H-1,2,3-triazole-4-carboxylate?
The molecular formula of ethyl 1-(3-methylbenzyl)-1H-1,2,3-triazole-4-carboxylate is C13H15N3O2.
What is the molecular weight of ethyl 1-(3-methylbenzyl)-1H-1,2,3-triazole-4-carboxylate?
The molecular weight of ethyl 1-(3-methylbenzyl)-1H-1,2,3-triazole-4-carboxylate is 245.11642 g/mol.
Where can I buy ethyl 1-(3-methylbenzyl)-1H-1,2,3-triazole-4-carboxylate?
You can request a quote for ethyl 1-(3-methylbenzyl)-1H-1,2,3-triazole-4-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ethyl 1-(3-methylbenzyl)-1H-1,2,3-triazole-4-carboxylate?
Yes, CoreyChem provides custom synthesis services for ethyl 1-(3-methylbenzyl)-1H-1,2,3-triazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.