alpha-Methyl-4-(5-methyl-4-phenyl-1H-1,2,3-triazol-1-yl)benzeneacetate
TL;DR: alpha-Methyl-4-(5-methyl-4-phenyl-1H-1,2,3-triazol-1-yl)benzeneacetate (CAS 70672-55-8) is a chemical compound with molecular formula C18H17N3O2 and molecular weight 307.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(5-methyl-4-phenyltriazol-1-yl)phenyl]propanoic acid
Also Known As: 5-26-02-00151 (Beilstein Handbook Reference), alpha-Methyl-4-(5-methyl-4-phenyl-1H-1,2,3-triazol-1-yl)benzeneacetate, 2-[4-(5-methyl-4-phenyltriazol-1-yl)phenyl]propanoic acid, Benzeneacetic acid, alpha-methyl-4-(5-methyl-4-phenyl-1H-1,2,3-triazol-1-yl)-, 2-[4-(5-Methyl-4-phenyl-1H-1,2,3-triazol-1-yl)phenyl]propanoic acid
| Molecular Formula | C18H17N3O2 |
|---|---|
| Molecular Weight | 307.13 g/mol |
| LogP | 3.43082 |
| Topological Polar Surface Area | 68.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 307.13208 |
| Heavy Atoms | 23 |
| Complexity | 823.23285 |
Chemical Identifiers
| CAS Number | 70672-55-8 |
|---|---|
| SMILES | CC1=C(N=NN1C2=CC=C(C=C2)C(C)C(=O)O)C3=CC=CC=C3 |
Product Overview
alpha-Methyl-4-(5-methyl-4-phenyl-1H-1,2,3-triazol-1-yl)benzeneacetate (CAS 70672-55-8), with molecular formula C18H17N3O2 and molecular weight 307.13 g/mol. IUPAC: 2-[4-(5-methyl-4-phenyltriazol-1-yl)phenyl]propanoic acid.
Chemical Property Profile of alpha-Methyl-4-(5-methyl-4-phenyl-1H-1,2,3-triazol-1-yl)benzeneacetate
Property Insights of alpha-Methyl-4-(5-methyl-4-phenyl-1H-1,2,3-triazol-1-yl)benzeneacetate
The XLogP value of 3.43082 indicates that alpha-Methyl-4-(5-methyl-4-phenyl-1H-1,2,3-triazol-1-yl)benzeneacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.01 Ų falls within the moderate polarity range, balancing permeability and solubility for alpha-Methyl-4-(5-methyl-4-phenyl-1H-1,2,3-triazol-1-yl)benzeneacetate. Following Lipinski's Rule of Five, alpha-Methyl-4-(5-methyl-4-phenyl-1H-1,2,3-triazol-1-yl)benzeneacetate has 1 hydrogen bond donor(s) and 3 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 alpha-Methyl-4-(5-methyl-4-phenyl-1H-1,2,3-triazol-1-yl)benzeneacetate?
The CAS number of alpha-Methyl-4-(5-methyl-4-phenyl-1H-1,2,3-triazol-1-yl)benzeneacetate is 70672-55-8.
What is the molecular formula of alpha-Methyl-4-(5-methyl-4-phenyl-1H-1,2,3-triazol-1-yl)benzeneacetate?
The molecular formula of alpha-Methyl-4-(5-methyl-4-phenyl-1H-1,2,3-triazol-1-yl)benzeneacetate is C18H17N3O2.
What is the molecular weight of alpha-Methyl-4-(5-methyl-4-phenyl-1H-1,2,3-triazol-1-yl)benzeneacetate?
The molecular weight of alpha-Methyl-4-(5-methyl-4-phenyl-1H-1,2,3-triazol-1-yl)benzeneacetate is 307.13 g/mol.
Where can I buy alpha-Methyl-4-(5-methyl-4-phenyl-1H-1,2,3-triazol-1-yl)benzeneacetate?
You can request a quote for alpha-Methyl-4-(5-methyl-4-phenyl-1H-1,2,3-triazol-1-yl)benzeneacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Methyl-4-(5-methyl-4-phenyl-1H-1,2,3-triazol-1-yl)benzeneacetate?
Yes, KEHONG BIO provides custom synthesis services for alpha-Methyl-4-(5-methyl-4-phenyl-1H-1,2,3-triazol-1-yl)benzeneacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.