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methyl 1-[(2,4,6-trimethylphenyl)methyl]-1H-1,2,3-triazole-4-carboxylate
TL;DR: methyl 1-[(2,4,6-trimethylphenyl)methyl]-1H-1,2,3-triazole-4-carboxylate (CAS 499197-66-9) is a chemical compound with molecular formula C14H17N3O2 and molecular weight 259.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-[(2,4,6-trimethylphenyl)methyl]triazole-4-carboxylate
Also Known As: AP-006/40842335, methyl 1-(mesitylmethyl)-1H-1,2,3-triazole-4-carboxylate, methyl 1-[(2,4,6-trimethylphenyl)methyl]-1H-1,2,3-triazole-4-carboxylate, methyl 1-[(2,4,6-trimethylphenyl)methyl]triazole-4-carboxylate
| Molecular Formula | C14H17N3O2 |
|---|---|
| Molecular Weight | 259.13 g/mol |
| LogP | 2.03826 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 259.13208 |
| Heavy Atoms | 19 |
| Complexity | 593.8988 |
Chemical Identifiers
| CAS Number | 499197-66-9 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)CN2C=C(N=N2)C(=O)OC)C |
Product Overview
methyl 1-[(2,4,6-trimethylphenyl)methyl]-1H-1,2,3-triazole-4-carboxylate (CAS 499197-66-9), with molecular formula C14H17N3O2 and molecular weight 259.13 g/mol. IUPAC: methyl 1-[(2,4,6-trimethylphenyl)methyl]triazole-4-carboxylate.
Chemical Property Profile of methyl 1-[(2,4,6-trimethylphenyl)methyl]-1H-1,2,3-triazole-4-carboxylate
Property Insights of methyl 1-[(2,4,6-trimethylphenyl)methyl]-1H-1,2,3-triazole-4-carboxylate
The XLogP value of 2.03826 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 1-[(2,4,6-trimethylphenyl)methyl]-1H-1,2,3-triazole-4-carboxylate. With a topological polar surface area (TPSA) of 57.01 Ų, methyl 1-[(2,4,6-trimethylphenyl)methyl]-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-[(2,4,6-trimethylphenyl)methyl]-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
Frequently Asked Questions
What is the CAS number of methyl 1-[(2,4,6-trimethylphenyl)methyl]-1H-1,2,3-triazole-4-carboxylate?
The CAS number of methyl 1-[(2,4,6-trimethylphenyl)methyl]-1H-1,2,3-triazole-4-carboxylate is 499197-66-9.
What is the molecular formula of methyl 1-[(2,4,6-trimethylphenyl)methyl]-1H-1,2,3-triazole-4-carboxylate?
The molecular formula of methyl 1-[(2,4,6-trimethylphenyl)methyl]-1H-1,2,3-triazole-4-carboxylate is C14H17N3O2.
What is the molecular weight of methyl 1-[(2,4,6-trimethylphenyl)methyl]-1H-1,2,3-triazole-4-carboxylate?
The molecular weight of methyl 1-[(2,4,6-trimethylphenyl)methyl]-1H-1,2,3-triazole-4-carboxylate is 259.13 g/mol.
Where can I buy methyl 1-[(2,4,6-trimethylphenyl)methyl]-1H-1,2,3-triazole-4-carboxylate?
You can request a quote for methyl 1-[(2,4,6-trimethylphenyl)methyl]-1H-1,2,3-triazole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 1-[(2,4,6-trimethylphenyl)methyl]-1H-1,2,3-triazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 1-[(2,4,6-trimethylphenyl)methyl]-1H-1,2,3-triazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.