Bromo-nitro-acetic acid ethyl ester
TL;DR: Bromo-nitro-acetic acid ethyl ester (CAS 6653-28-7) is a chemical compound with molecular formula C4H6BrNO4 and molecular weight 210.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-bromo-2-nitroacetate
Also Known As: Ethylbromonitroacetate, ethyl bromonitroacetate, Ethyl bromo(nitro)acetate, ethyl 2-bromo-2-nitroacetate, ethyl ester of bromonitroacetic acid
| Molecular Formula | C4H6BrNO4 |
|---|---|
| Molecular Weight | 210.95 g/mol |
| LogP | 0.5472 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 210.94801 |
| Heavy Atoms | 10 |
| Complexity | 148.19302 |
Chemical Identifiers
| CAS Number | 6653-28-7 |
|---|---|
| SMILES | CCOC(=O)C([N+](=O)[O-])Br |
Product Overview
Bromo-nitro-acetic acid ethyl ester (CAS 6653-28-7), with molecular formula C4H6BrNO4 and molecular weight 210.95 g/mol. IUPAC: ethyl 2-bromo-2-nitroacetate.
Chemical Property Profile of Bromo-nitro-acetic acid ethyl ester
Property Insights of Bromo-nitro-acetic acid ethyl ester
The XLogP value of 0.5472 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bromo-nitro-acetic acid ethyl ester. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Bromo-nitro-acetic acid ethyl ester. Following Lipinski's Rule of Five, Bromo-nitro-acetic acid ethyl 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 Bromo-nitro-acetic acid ethyl ester?
The CAS number of Bromo-nitro-acetic acid ethyl ester is 6653-28-7.
What is the molecular formula of Bromo-nitro-acetic acid ethyl ester?
The molecular formula of Bromo-nitro-acetic acid ethyl ester is C4H6BrNO4.
What is the molecular weight of Bromo-nitro-acetic acid ethyl ester?
The molecular weight of Bromo-nitro-acetic acid ethyl ester is 210.95 g/mol.
Where can I buy Bromo-nitro-acetic acid ethyl ester?
You can request a quote for Bromo-nitro-acetic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bromo-nitro-acetic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Bromo-nitro-acetic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.