4-Nitrobenzyl bromoacetate
TL;DR: 4-Nitrobenzyl bromoacetate (CAS 16869-24-2) is a chemical compound with molecular formula C9H8BrNO4 and molecular weight 272.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl)methyl 2-bromoacetate
Also Known As: 4-Nitrobenzyl bromoacetate, 4-Nitrobenzyl 2-bromoacetate, (4-nitrophenyl)methyl 2-bromoacetate, p-nitrobenzyl bromoacetate, 2-Phenoxyphenethylamine
| Molecular Formula | C9H8BrNO4 |
|---|---|
| Molecular Weight | 272.96 g/mol |
| LogP | 2.0329 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 272.96368 |
| Heavy Atoms | 15 |
| Complexity | 362.88004 |
Chemical Identifiers
| CAS Number | 16869-24-2 |
|---|---|
| SMILES | C1=CC(=CC=C1COC(=O)CBr)[N+](=O)[O-] |
Product Overview
4-Nitrobenzyl bromoacetate (CAS 16869-24-2), with molecular formula C9H8BrNO4 and molecular weight 272.96 g/mol. IUPAC: (4-nitrophenyl)methyl 2-bromoacetate.
Chemical Property Profile of 4-Nitrobenzyl bromoacetate
Property Insights of 4-Nitrobenzyl bromoacetate
The XLogP value of 2.0329 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitrobenzyl bromoacetate. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitrobenzyl bromoacetate. Following Lipinski's Rule of Five, 4-Nitrobenzyl bromoacetate 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-Nitrobenzyl bromoacetate?
The CAS number of 4-Nitrobenzyl bromoacetate is 16869-24-2.
What is the molecular formula of 4-Nitrobenzyl bromoacetate?
The molecular formula of 4-Nitrobenzyl bromoacetate is C9H8BrNO4.
What is the molecular weight of 4-Nitrobenzyl bromoacetate?
The molecular weight of 4-Nitrobenzyl bromoacetate is 272.96 g/mol.
Where can I buy 4-Nitrobenzyl bromoacetate?
You can request a quote for 4-Nitrobenzyl bromoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitrobenzyl bromoacetate?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrobenzyl bromoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.