2-(2H-benzotriazol-2-yl)-4-methylphenyl 2-fluorobenzoate
TL;DR: 2-(2H-benzotriazol-2-yl)-4-methylphenyl 2-fluorobenzoate (CAS 352638-05-2) is a chemical compound with molecular formula C20H14FN3O2 and molecular weight 347.11 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-fluorobenzoate
Also Known As: BAS 00100952, [2-(benzotriazol-2-yl)-4-methylphenyl] 2-fluorobenzoate, 2-(2H-benzotriazol-2-yl)-4-methylphenyl 2-fluorobenzoate, 2-Fluoro-benzoic acid 2-benzotriazol-2-yl-4-methyl-phenyl ester, 2-(2H-1,2,3-BENZOTRIAZOL-2-YL)-4-METHYLPHENYL 2-FLUOROBENZOATE
| Molecular Formula | C20H14FN3O2 |
|---|---|
| Molecular Weight | 347.11 g/mol |
| LogP | 4.08722 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 347.107 |
| Heavy Atoms | 26 |
| Complexity | 1087.9575 |
Chemical Identifiers
| CAS Number | 352638-05-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OC(=O)C2=CC=CC=C2F)N3N=C4C=CC=CC4=N3 |
Product Overview
2-(2H-benzotriazol-2-yl)-4-methylphenyl 2-fluorobenzoate (CAS 352638-05-2), with molecular formula C20H14FN3O2 and molecular weight 347.11 g/mol. IUPAC: [2-(benzotriazol-2-yl)-4-methylphenyl] 2-fluorobenzoate.
Chemical Property Profile of 2-(2H-benzotriazol-2-yl)-4-methylphenyl 2-fluorobenzoate
Property Insights of 2-(2H-benzotriazol-2-yl)-4-methylphenyl 2-fluorobenzoate
The XLogP value of 4.08722 indicates that 2-(2H-benzotriazol-2-yl)-4-methylphenyl 2-fluorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.01 Ų, 2-(2H-benzotriazol-2-yl)-4-methylphenyl 2-fluorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2H-benzotriazol-2-yl)-4-methylphenyl 2-fluorobenzoate 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-benzotriazol-2-yl)-4-methylphenyl 2-fluorobenzoate?
The CAS number of 2-(2H-benzotriazol-2-yl)-4-methylphenyl 2-fluorobenzoate is 352638-05-2.
What is the molecular formula of 2-(2H-benzotriazol-2-yl)-4-methylphenyl 2-fluorobenzoate?
The molecular formula of 2-(2H-benzotriazol-2-yl)-4-methylphenyl 2-fluorobenzoate is C20H14FN3O2.
What is the molecular weight of 2-(2H-benzotriazol-2-yl)-4-methylphenyl 2-fluorobenzoate?
The molecular weight of 2-(2H-benzotriazol-2-yl)-4-methylphenyl 2-fluorobenzoate is 347.11 g/mol.
Where can I buy 2-(2H-benzotriazol-2-yl)-4-methylphenyl 2-fluorobenzoate?
You can request a quote for 2-(2H-benzotriazol-2-yl)-4-methylphenyl 2-fluorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2H-benzotriazol-2-yl)-4-methylphenyl 2-fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(2H-benzotriazol-2-yl)-4-methylphenyl 2-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.