o-Tolyloxy-acetic acid 2-benzotriazol-2-yl-4-methyl-phenyl ester
TL;DR: o-Tolyloxy-acetic acid 2-benzotriazol-2-yl-4-methyl-phenyl ester (CAS 301208-11-7) is a chemical compound with molecular formula C22H19N3O3 and molecular weight 373.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(benzotriazol-2-yl)-4-methylphenyl] 2-(2-methylphenoxy)acetate
Also Known As: BAS 00119719, o-Tolyloxy-acetic acid 2-benzotriazol-2-yl-4-methyl-phenyl ester, [2-(benzotriazol-2-yl)-4-methylphenyl] 2-(2-methylphenoxy)acetate, 2-(2H-benzotriazol-2-yl)-4-methylphenyl (2-methylphenoxy)acetate, 2-(2H-benzo[d][1,2,3]triazol-2-yl)-4-methylphenyl 2-(o-tolyloxy)acetate
| Molecular Formula | C22H19N3O3 |
|---|---|
| Molecular Weight | 373.14 g/mol |
| LogP | 4.02174 |
| Topological Polar Surface Area | 66.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 373.14264 |
| Heavy Atoms | 28 |
| Complexity | 1117.6982 |
Chemical Identifiers
| CAS Number | 301208-11-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OC(=O)COC2=CC=CC=C2C)N3N=C4C=CC=CC4=N3 |
Product Overview
o-Tolyloxy-acetic acid 2-benzotriazol-2-yl-4-methyl-phenyl ester (CAS 301208-11-7), with molecular formula C22H19N3O3 and molecular weight 373.14 g/mol. IUPAC: [2-(benzotriazol-2-yl)-4-methylphenyl] 2-(2-methylphenoxy)acetate.
Chemical Property Profile of o-Tolyloxy-acetic acid 2-benzotriazol-2-yl-4-methyl-phenyl ester
Property Insights of o-Tolyloxy-acetic acid 2-benzotriazol-2-yl-4-methyl-phenyl ester
The XLogP value of 4.02174 indicates that o-Tolyloxy-acetic acid 2-benzotriazol-2-yl-4-methyl-phenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.24 Ų falls within the moderate polarity range, balancing permeability and solubility for o-Tolyloxy-acetic acid 2-benzotriazol-2-yl-4-methyl-phenyl ester. Following Lipinski's Rule of Five, o-Tolyloxy-acetic acid 2-benzotriazol-2-yl-4-methyl-phenyl ester 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 o-Tolyloxy-acetic acid 2-benzotriazol-2-yl-4-methyl-phenyl ester?
The CAS number of o-Tolyloxy-acetic acid 2-benzotriazol-2-yl-4-methyl-phenyl ester is 301208-11-7.
What is the molecular formula of o-Tolyloxy-acetic acid 2-benzotriazol-2-yl-4-methyl-phenyl ester?
The molecular formula of o-Tolyloxy-acetic acid 2-benzotriazol-2-yl-4-methyl-phenyl ester is C22H19N3O3.
What is the molecular weight of o-Tolyloxy-acetic acid 2-benzotriazol-2-yl-4-methyl-phenyl ester?
The molecular weight of o-Tolyloxy-acetic acid 2-benzotriazol-2-yl-4-methyl-phenyl ester is 373.14 g/mol.
Where can I buy o-Tolyloxy-acetic acid 2-benzotriazol-2-yl-4-methyl-phenyl ester?
You can request a quote for o-Tolyloxy-acetic acid 2-benzotriazol-2-yl-4-methyl-phenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o-Tolyloxy-acetic acid 2-benzotriazol-2-yl-4-methyl-phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for o-Tolyloxy-acetic acid 2-benzotriazol-2-yl-4-methyl-phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.