2-(1-Acetyl-3-methyl-1h-1,2,4-triazol-5-yl)phenyl acetate
TL;DR: 2-(1-Acetyl-3-methyl-1h-1,2,4-triazol-5-yl)phenyl acetate (CAS 5838-98-2) is a chemical compound with molecular formula C13H13N3O3 and molecular weight 259.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2-acetyl-5-methyl-1,2,4-triazol-3-yl)phenyl] acetate
Also Known As: 2-(1-acetyl-3-methyl-1h-1,2,4-triazol-5-yl)phenyl acetate, BIM-0034771.P001, AB00098775-01, [2-(2-acetyl-5-methyl-1,2,4-triazol-3-yl)phenyl] acetate
| Molecular Formula | C13H13N3O3 |
|---|---|
| Molecular Weight | 259.10 g/mol |
| LogP | 1.83892 |
| Topological Polar Surface Area | 74.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 259.0957 |
| Heavy Atoms | 19 |
| Complexity | 646.33307 |
Chemical Identifiers
| CAS Number | 5838-98-2 |
|---|---|
| SMILES | CC1=NN(C(=N1)C2=CC=CC=C2OC(=O)C)C(=O)C |
Product Overview
2-(1-Acetyl-3-methyl-1h-1,2,4-triazol-5-yl)phenyl acetate (CAS 5838-98-2), with molecular formula C13H13N3O3 and molecular weight 259.10 g/mol. IUPAC: [2-(2-acetyl-5-methyl-1,2,4-triazol-3-yl)phenyl] acetate.
Chemical Property Profile of 2-(1-Acetyl-3-methyl-1h-1,2,4-triazol-5-yl)phenyl acetate
Property Insights of 2-(1-Acetyl-3-methyl-1h-1,2,4-triazol-5-yl)phenyl acetate
The XLogP value of 1.83892 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1-Acetyl-3-methyl-1h-1,2,4-triazol-5-yl)phenyl acetate. The TPSA of 74.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1-Acetyl-3-methyl-1h-1,2,4-triazol-5-yl)phenyl acetate. Following Lipinski's Rule of Five, 2-(1-Acetyl-3-methyl-1h-1,2,4-triazol-5-yl)phenyl acetate has 0 hydrogen bond donor(s) and 5 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 2-(1-Acetyl-3-methyl-1h-1,2,4-triazol-5-yl)phenyl acetate?
The CAS number of 2-(1-Acetyl-3-methyl-1h-1,2,4-triazol-5-yl)phenyl acetate is 5838-98-2.
What is the molecular formula of 2-(1-Acetyl-3-methyl-1h-1,2,4-triazol-5-yl)phenyl acetate?
The molecular formula of 2-(1-Acetyl-3-methyl-1h-1,2,4-triazol-5-yl)phenyl acetate is C13H13N3O3.
What is the molecular weight of 2-(1-Acetyl-3-methyl-1h-1,2,4-triazol-5-yl)phenyl acetate?
The molecular weight of 2-(1-Acetyl-3-methyl-1h-1,2,4-triazol-5-yl)phenyl acetate is 259.10 g/mol.
Where can I buy 2-(1-Acetyl-3-methyl-1h-1,2,4-triazol-5-yl)phenyl acetate?
You can request a quote for 2-(1-Acetyl-3-methyl-1h-1,2,4-triazol-5-yl)phenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-Acetyl-3-methyl-1h-1,2,4-triazol-5-yl)phenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-Acetyl-3-methyl-1h-1,2,4-triazol-5-yl)phenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.