4-Nitrobenzoic acid 3-bromobenzyl ester
TL;DR: 4-Nitrobenzoic acid 3-bromobenzyl ester (CAS 53218-04-5) 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.
(3-bromophenyl)methyl 4-nitrobenzoate
Also Known As: 3-bromobenzyl 4-nitrobenzoate, 4-Nitrobenzoic acid 3-bromobenzyl ester, 4-Nitrobenzoicacid3-bromobenzylester, (3-bromophenyl)methyl 4-nitrobenzoate, Benzenemethanol, 3-bromo-, 4-nitrobenzoate
| 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 | 639.8771 |
Chemical Identifiers
| CAS Number | 53218-04-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Br)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
4-Nitrobenzoic acid 3-bromobenzyl ester (CAS 53218-04-5), with molecular formula C14H10BrNO4 and molecular weight 334.98 g/mol. IUPAC: (3-bromophenyl)methyl 4-nitrobenzoate.
Chemical Property Profile of 4-Nitrobenzoic acid 3-bromobenzyl ester
Property Insights of 4-Nitrobenzoic acid 3-bromobenzyl ester
The XLogP value of 3.7143 indicates that 4-Nitrobenzoic acid 3-bromobenzyl ester 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-Nitrobenzoic acid 3-bromobenzyl ester. Following Lipinski's Rule of Five, 4-Nitrobenzoic acid 3-bromobenzyl ester 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-Nitrobenzoic acid 3-bromobenzyl ester?
The CAS number of 4-Nitrobenzoic acid 3-bromobenzyl ester is 53218-04-5.
What is the molecular formula of 4-Nitrobenzoic acid 3-bromobenzyl ester?
The molecular formula of 4-Nitrobenzoic acid 3-bromobenzyl ester is C14H10BrNO4.
What is the molecular weight of 4-Nitrobenzoic acid 3-bromobenzyl ester?
The molecular weight of 4-Nitrobenzoic acid 3-bromobenzyl ester is 334.98 g/mol.
Where can I buy 4-Nitrobenzoic acid 3-bromobenzyl ester?
You can request a quote for 4-Nitrobenzoic acid 3-bromobenzyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitrobenzoic acid 3-bromobenzyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrobenzoic acid 3-bromobenzyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.