2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl 4-bromo-3-nitrobenzoate
TL;DR: 2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl 4-bromo-3-nitrobenzoate (CAS 301207-80-7) is a chemical compound with molecular formula C20H13BrN4O4 and molecular weight 452.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(benzotriazol-2-yl)-4-methylphenyl] 4-bromo-3-nitrobenzoate
Also Known As: BAS 00119642, 2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl 4-bromo-3-nitrobenzoate, [2-(benzotriazol-2-yl)-4-methylphenyl] 4-bromo-3-nitrobenzoate, 2-(2H-benzotriazol-2-yl)-4-methylphenyl 4-bromo-3-nitrobenzoate, 4-Bromo-3-nitro-benzoic acid 2-benzotriazol-2-yl-4-methyl-phenyl ester
| Molecular Formula | C20H13BrN4O4 |
|---|---|
| Molecular Weight | 452.01 g/mol |
| LogP | 4.61882 |
| Topological Polar Surface Area | 100.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 452.01202 |
| Heavy Atoms | 29 |
| Complexity | 1235.5686 |
Chemical Identifiers
| CAS Number | 301207-80-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OC(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-])N3N=C4C=CC=CC4=N3 |
Product Overview
2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl 4-bromo-3-nitrobenzoate (CAS 301207-80-7), with molecular formula C20H13BrN4O4 and molecular weight 452.01 g/mol. IUPAC: [2-(benzotriazol-2-yl)-4-methylphenyl] 4-bromo-3-nitrobenzoate.
Chemical Property Profile of 2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl 4-bromo-3-nitrobenzoate
Property Insights of 2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl 4-bromo-3-nitrobenzoate
The XLogP value of 4.61882 indicates that 2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl 4-bromo-3-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl 4-bromo-3-nitrobenzoate. Following Lipinski's Rule of Five, 2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl 4-bromo-3-nitrobenzoate has 0 hydrogen bond donor(s) and 6 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-1,2,3-benzotriazol-2-yl)-4-methylphenyl 4-bromo-3-nitrobenzoate?
The CAS number of 2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl 4-bromo-3-nitrobenzoate is 301207-80-7.
What is the molecular formula of 2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl 4-bromo-3-nitrobenzoate?
The molecular formula of 2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl 4-bromo-3-nitrobenzoate is C20H13BrN4O4.
What is the molecular weight of 2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl 4-bromo-3-nitrobenzoate?
The molecular weight of 2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl 4-bromo-3-nitrobenzoate is 452.01 g/mol.
Where can I buy 2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl 4-bromo-3-nitrobenzoate?
You can request a quote for 2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl 4-bromo-3-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl 4-bromo-3-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl 4-bromo-3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.