Ethyl 5-bromo-4-chloro-2-nitrobenzoate
TL;DR: Ethyl 5-bromo-4-chloro-2-nitrobenzoate (CAS 75355-10-1) is a chemical compound with molecular formula C9H7BrClNO4 and molecular weight 306.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-bromo-4-chloro-2-nitrobenzoate
Also Known As: Formic acid 3-hydroxybutyl ester, ethyl 5-bromo-4-chloro-2-nitrobenzoate, BIM-0037513.P001
| Molecular Formula | C9H7BrClNO4 |
|---|---|
| Molecular Weight | 306.92 g/mol |
| LogP | 3.1874 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 306.9247 |
| Heavy Atoms | 16 |
| Complexity | 449.38028 |
Chemical Identifiers
| CAS Number | 75355-10-1 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=C(C=C1[N+](=O)[O-])Cl)Br |
Product Overview
Ethyl 5-bromo-4-chloro-2-nitrobenzoate (CAS 75355-10-1), with molecular formula C9H7BrClNO4 and molecular weight 306.92 g/mol. IUPAC: ethyl 5-bromo-4-chloro-2-nitrobenzoate.
Chemical Property Profile of Ethyl 5-bromo-4-chloro-2-nitrobenzoate
Property Insights of Ethyl 5-bromo-4-chloro-2-nitrobenzoate
The XLogP value of 3.1874 indicates that Ethyl 5-bromo-4-chloro-2-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 Ethyl 5-bromo-4-chloro-2-nitrobenzoate. Following Lipinski's Rule of Five, Ethyl 5-bromo-4-chloro-2-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 Ethyl 5-bromo-4-chloro-2-nitrobenzoate?
The CAS number of Ethyl 5-bromo-4-chloro-2-nitrobenzoate is 75355-10-1.
What is the molecular formula of Ethyl 5-bromo-4-chloro-2-nitrobenzoate?
The molecular formula of Ethyl 5-bromo-4-chloro-2-nitrobenzoate is C9H7BrClNO4.
What is the molecular weight of Ethyl 5-bromo-4-chloro-2-nitrobenzoate?
The molecular weight of Ethyl 5-bromo-4-chloro-2-nitrobenzoate is 306.92 g/mol.
Where can I buy Ethyl 5-bromo-4-chloro-2-nitrobenzoate?
You can request a quote for Ethyl 5-bromo-4-chloro-2-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-bromo-4-chloro-2-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-bromo-4-chloro-2-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.