(2-Bromo-4-formylphenyl) 2-nitrobenzoate
TL;DR: (2-Bromo-4-formylphenyl) 2-nitrobenzoate (CAS 443294-31-3) is a chemical compound with molecular formula C14H8BrNO5 and molecular weight 348.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-bromo-4-formylphenyl) 2-nitrobenzoate
Also Known As: 3-Bromo-4-[(2-nitrobenzoyl)oxy]benzaldehyde, (2-bromo-4-formylphenyl) 2-nitrobenzoate, 2-BROMO-4-FORMYLPHENYL 2-NITROBENZOATE
| Molecular Formula | C14H8BrNO5 |
|---|---|
| Molecular Weight | 348.96 g/mol |
| LogP | 3.389 |
| Topological Polar Surface Area | 86.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 348.9586 |
| Heavy Atoms | 21 |
| Complexity | 729.0543 |
Chemical Identifiers
| CAS Number | 443294-31-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)OC2=C(C=C(C=C2)C=O)Br)[N+](=O)[O-] |
Product Overview
(2-Bromo-4-formylphenyl) 2-nitrobenzoate (CAS 443294-31-3), with molecular formula C14H8BrNO5 and molecular weight 348.96 g/mol. IUPAC: (2-bromo-4-formylphenyl) 2-nitrobenzoate.
Chemical Property Profile of (2-Bromo-4-formylphenyl) 2-nitrobenzoate
Property Insights of (2-Bromo-4-formylphenyl) 2-nitrobenzoate
The XLogP value of 3.389 indicates that (2-Bromo-4-formylphenyl) 2-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.51 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-Bromo-4-formylphenyl) 2-nitrobenzoate. Following Lipinski's Rule of Five, (2-Bromo-4-formylphenyl) 2-nitrobenzoate 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 (2-Bromo-4-formylphenyl) 2-nitrobenzoate?
The CAS number of (2-Bromo-4-formylphenyl) 2-nitrobenzoate is 443294-31-3.
What is the molecular formula of (2-Bromo-4-formylphenyl) 2-nitrobenzoate?
The molecular formula of (2-Bromo-4-formylphenyl) 2-nitrobenzoate is C14H8BrNO5.
What is the molecular weight of (2-Bromo-4-formylphenyl) 2-nitrobenzoate?
The molecular weight of (2-Bromo-4-formylphenyl) 2-nitrobenzoate is 348.96 g/mol.
Where can I buy (2-Bromo-4-formylphenyl) 2-nitrobenzoate?
You can request a quote for (2-Bromo-4-formylphenyl) 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-formylphenyl) 2-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (2-Bromo-4-formylphenyl) 2-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.