2-Bromo-4-ethylphenyl 2-nitrobenzoate
TL;DR: 2-Bromo-4-ethylphenyl 2-nitrobenzoate (CAS 514823-83-7) is a chemical compound with molecular formula C15H12BrNO4 and molecular weight 348.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-bromo-4-ethylphenyl) 2-nitrobenzoate
Also Known As: 2-bromo-4-ethylphenyl 2-nitrobenzoate, (2-bromo-4-ethylphenyl) 2-nitrobenzoate
| Molecular Formula | C15H12BrNO4 |
|---|---|
| Molecular Weight | 348.99 g/mol |
| LogP | 4.1389 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 348.99496 |
| Heavy Atoms | 21 |
| Complexity | 699.823 |
Chemical Identifiers
| CAS Number | 514823-83-7 |
|---|---|
| SMILES | CCC1=CC(=C(C=C1)OC(=O)C2=CC=CC=C2[N+](=O)[O-])Br |
Product Overview
2-Bromo-4-ethylphenyl 2-nitrobenzoate (CAS 514823-83-7), with molecular formula C15H12BrNO4 and molecular weight 348.99 g/mol. IUPAC: (2-bromo-4-ethylphenyl) 2-nitrobenzoate.
Chemical Property Profile of 2-Bromo-4-ethylphenyl 2-nitrobenzoate
Property Insights of 2-Bromo-4-ethylphenyl 2-nitrobenzoate
The XLogP value of 4.1389 indicates that 2-Bromo-4-ethylphenyl 2-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Bromo-4-ethylphenyl 2-nitrobenzoate. Following Lipinski's Rule of Five, 2-Bromo-4-ethylphenyl 2-nitrobenzoate 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-Bromo-4-ethylphenyl 2-nitrobenzoate?
The CAS number of 2-Bromo-4-ethylphenyl 2-nitrobenzoate is 514823-83-7.
What is the molecular formula of 2-Bromo-4-ethylphenyl 2-nitrobenzoate?
The molecular formula of 2-Bromo-4-ethylphenyl 2-nitrobenzoate is C15H12BrNO4.
What is the molecular weight of 2-Bromo-4-ethylphenyl 2-nitrobenzoate?
The molecular weight of 2-Bromo-4-ethylphenyl 2-nitrobenzoate is 348.99 g/mol.
Where can I buy 2-Bromo-4-ethylphenyl 2-nitrobenzoate?
You can request a quote for 2-Bromo-4-ethylphenyl 2-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-4-ethylphenyl 2-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-4-ethylphenyl 2-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.