2-Bromoethyl 4-nitrobenzoate
TL;DR: 2-Bromoethyl 4-nitrobenzoate (CAS 23702-54-7) 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.
2-bromoethyl 4-nitrobenzoate
Also Known As: 2-bromoethyl 4-nitrobenzoate, 2-Bromethyl-p-nitrobenzoat, 4-Nitrobenzoic acid 2-bromoethyl ester, 4-nitrobenzoic acid 2-bromo-ethyl ester, ETHANOL,2-ETHOXY-,4-NITROBENZOATE
| Molecular Formula | C9H8BrNO4 |
|---|---|
| Molecular Weight | 272.96 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 272.96368 |
| Heavy Atoms | 15 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 23702-54-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)OCCBr)[N+](=O)[O-] |
| InChIKey | BBSUABROLDVKMB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Bromoethyl 4-nitrobenzoate (CAS 23702-54-7), with molecular formula C9H8BrNO4 and molecular weight 272.96 g/mol. IUPAC: 2-bromoethyl 4-nitrobenzoate.
Chemical Property Profile of 2-Bromoethyl 4-nitrobenzoate
Property Insights of 2-Bromoethyl 4-nitrobenzoate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromoethyl 4-nitrobenzoate. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Bromoethyl 4-nitrobenzoate. Following Lipinski's Rule of Five, 2-Bromoethyl 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 2-Bromoethyl 4-nitrobenzoate?
The CAS number of 2-Bromoethyl 4-nitrobenzoate is 23702-54-7.
What is the molecular formula of 2-Bromoethyl 4-nitrobenzoate?
The molecular formula of 2-Bromoethyl 4-nitrobenzoate is C9H8BrNO4.
What is the molecular weight of 2-Bromoethyl 4-nitrobenzoate?
The molecular weight of 2-Bromoethyl 4-nitrobenzoate is 272.96 g/mol.
Where can I buy 2-Bromoethyl 4-nitrobenzoate?
You can request a quote for 2-Bromoethyl 4-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromoethyl 4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromoethyl 4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.