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2-(2H-Benzo[d][1,2,3]triazol-2-yl)-4-methylphenyl acetate
TL;DR: 2-(2H-Benzo[d][1,2,3]triazol-2-yl)-4-methylphenyl acetate (CAS 69698-20-0) is a chemical compound with molecular formula C15H13N3O2 and molecular weight 267.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(benzotriazol-2-yl)-4-methylphenyl] acetate
Also Known As: TimTec1_005741, BAS 00100911, [2-(benzotriazol-2-yl)-4-methylphenyl] acetate, 2-(2'-acetoxy-5'-methylphenyl)benzotriazole, 2-(2'-acetoxy-5-methylphenyl)2H-benzotriazole
| Molecular Formula | C15H13N3O2 |
|---|---|
| Molecular Weight | 267.10 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 57.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 267.10077 |
| Heavy Atoms | 20 |
| Complexity | 349.0 |
Chemical Identifiers
| CAS Number | 69698-20-0 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OC(=O)C)N2N=C3C=CC=CC3=N2 |
| InChIKey | VWVPMNQXGPQPNV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(2H-Benzo[d][1,2,3]triazol-2-yl)-4-methylphenyl acetate (CAS 69698-20-0), with molecular formula C15H13N3O2 and molecular weight 267.10 g/mol. IUPAC: [2-(benzotriazol-2-yl)-4-methylphenyl] acetate.
Chemical Property Profile of 2-(2H-Benzo[d][1,2,3]triazol-2-yl)-4-methylphenyl acetate
Property Insights of 2-(2H-Benzo[d][1,2,3]triazol-2-yl)-4-methylphenyl acetate
The XLogP value of 4.4 indicates that 2-(2H-Benzo[d][1,2,3]triazol-2-yl)-4-methylphenyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.0 Ų, 2-(2H-Benzo[d][1,2,3]triazol-2-yl)-4-methylphenyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2H-Benzo[d][1,2,3]triazol-2-yl)-4-methylphenyl acetate 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 2-(2H-Benzo[d][1,2,3]triazol-2-yl)-4-methylphenyl acetate?
The CAS number of 2-(2H-Benzo[d][1,2,3]triazol-2-yl)-4-methylphenyl acetate is 69698-20-0.
What is the molecular formula of 2-(2H-Benzo[d][1,2,3]triazol-2-yl)-4-methylphenyl acetate?
The molecular formula of 2-(2H-Benzo[d][1,2,3]triazol-2-yl)-4-methylphenyl acetate is C15H13N3O2.
What is the molecular weight of 2-(2H-Benzo[d][1,2,3]triazol-2-yl)-4-methylphenyl acetate?
The molecular weight of 2-(2H-Benzo[d][1,2,3]triazol-2-yl)-4-methylphenyl acetate is 267.10 g/mol.
Where can I buy 2-(2H-Benzo[d][1,2,3]triazol-2-yl)-4-methylphenyl acetate?
You can request a quote for 2-(2H-Benzo[d][1,2,3]triazol-2-yl)-4-methylphenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2H-Benzo[d][1,2,3]triazol-2-yl)-4-methylphenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-(2H-Benzo[d][1,2,3]triazol-2-yl)-4-methylphenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.