methyl 1-(3-methylbenzyl)-1H-1,2,3-triazole-4-carboxylate
TL;DR: methyl 1-(3-methylbenzyl)-1H-1,2,3-triazole-4-carboxylate (CAS 141072-09-5) is a chemical compound with molecular formula C12H13N3O2 and molecular weight 231.10077 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 1-[(3-methylphenyl)methyl]triazole-4-carboxylate
Also Known As: methyl 1-(3-methylbenzyl)-1H-1,2,3-triazole-4-carboxylate, methyl 1-[(3-methylphenyl)methyl]triazole-4-carboxylate, methyl 1-(m-tolylmethyl)triazole-4-carboxylate, AP-006/41746398, methyl 1-[(3-methylphenyl)methyl]-1H-1,2,3-triazole-4-carboxylate
Technical Specifications
| Molecular Formula | C12H13N3O2 |
| Molecular Weight | 231.10077 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 57.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 231.10077 Da |
| Heavy Atoms | 17 |
| Complexity | 272.0 |
| SMILES | CC1=CC(=CC=C1)CN2C=C(N=N2)C(=O)OC |
| InChIKey | GUXMRWWLXFEIMJ-UHFFFAOYSA-N |
Chemical Property Profile of methyl 1-(3-methylbenzyl)-1H-1,2,3-triazole-4-carboxylate
Property Insights of methyl 1-(3-methylbenzyl)-1H-1,2,3-triazole-4-carboxylate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 1-(3-methylbenzyl)-1H-1,2,3-triazole-4-carboxylate. With a topological polar surface area (TPSA) of 57.0 Ų, methyl 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, methyl 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 methyl 1-(3-methylbenzyl)-1H-1,2,3-triazole-4-carboxylate?
The CAS number of methyl 1-(3-methylbenzyl)-1H-1,2,3-triazole-4-carboxylate is 141072-09-5.
What is the molecular formula of methyl 1-(3-methylbenzyl)-1H-1,2,3-triazole-4-carboxylate?
The molecular formula of methyl 1-(3-methylbenzyl)-1H-1,2,3-triazole-4-carboxylate is C12H13N3O2.
What is the molecular weight of methyl 1-(3-methylbenzyl)-1H-1,2,3-triazole-4-carboxylate?
The molecular weight of methyl 1-(3-methylbenzyl)-1H-1,2,3-triazole-4-carboxylate is 231.10077 g/mol.
Where can I buy methyl 1-(3-methylbenzyl)-1H-1,2,3-triazole-4-carboxylate?
You can request a quote for methyl 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 methyl 1-(3-methylbenzyl)-1H-1,2,3-triazole-4-carboxylate?
Yes, CoreyChem provides custom synthesis services for methyl 1-(3-methylbenzyl)-1H-1,2,3-triazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.