(4-Bromophenyl)methyl 4-nitrobenzoate
TL;DR: (4-Bromophenyl)methyl 4-nitrobenzoate (CAS 53218-06-7) is a chemical compound with molecular formula C14H10BrNO4 and molecular weight 334.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-bromophenyl)methyl 4-nitrobenzoate
Also Known As: (4-bromophenyl)methyl 4-nitrobenzoate, 4-Nitrobenzoicacid4-bromobenzylester, 4-Nitrobenzoic acid 4-bromobenzyl ester, 4-BROMOBENZYL 4-NITROBENZOATE, 4-Nitrobenzoic acid (4-bromobenzyl) ester
| Molecular Formula | C14H10BrNO4 |
|---|---|
| Molecular Weight | 334.98 g/mol |
| LogP | 3.7143 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 334.9793 |
| Heavy Atoms | 20 |
| Complexity | 622.6271 |
Chemical Identifiers
| CAS Number | 53218-06-7 |
|---|---|
| SMILES | C1=CC(=CC=C1COC(=O)C2=CC=C(C=C2)[N+](=O)[O-])Br |
Product Overview
(4-Bromophenyl)methyl 4-nitrobenzoate (CAS 53218-06-7), with molecular formula C14H10BrNO4 and molecular weight 334.98 g/mol. IUPAC: (4-bromophenyl)methyl 4-nitrobenzoate.
Chemical Property Profile of (4-Bromophenyl)methyl 4-nitrobenzoate
Property Insights of (4-Bromophenyl)methyl 4-nitrobenzoate
The XLogP value of 3.7143 indicates that (4-Bromophenyl)methyl 4-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 (4-Bromophenyl)methyl 4-nitrobenzoate. Following Lipinski's Rule of Five, (4-Bromophenyl)methyl 4-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 (4-Bromophenyl)methyl 4-nitrobenzoate?
The CAS number of (4-Bromophenyl)methyl 4-nitrobenzoate is 53218-06-7.
What is the molecular formula of (4-Bromophenyl)methyl 4-nitrobenzoate?
The molecular formula of (4-Bromophenyl)methyl 4-nitrobenzoate is C14H10BrNO4.
What is the molecular weight of (4-Bromophenyl)methyl 4-nitrobenzoate?
The molecular weight of (4-Bromophenyl)methyl 4-nitrobenzoate is 334.98 g/mol.
Where can I buy (4-Bromophenyl)methyl 4-nitrobenzoate?
You can request a quote for (4-Bromophenyl)methyl 4-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Bromophenyl)methyl 4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (4-Bromophenyl)methyl 4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.