Benzoic acid, 3,5-dibromo-4-nitro-, ethyl ester
TL;DR: Benzoic acid, 3,5-dibromo-4-nitro-, ethyl ester (CAS 40587-64-2) is a chemical compound with molecular formula C9H7Br2NO4 and molecular weight 350.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3,5-dibromo-4-nitrobenzoate
Also Known As: ethyl 3,5-dibromo-4-nitrobenzoate, Benzoic acid, 3,5-dibromo-4-nitro-, ethyl ester, ETHYL 3,5-DIBROMO-4-NITRO-BENZOATE, RefChem:327047
| Molecular Formula | C9H7Br2NO4 |
|---|---|
| Molecular Weight | 350.87 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 350.87418 |
| Heavy Atoms | 16 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 40587-64-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=C(C(=C1)Br)[N+](=O)[O-])Br |
| InChIKey | AVWPFPKHUNIXBL-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 3,5-dibromo-4-nitro-, ethyl ester (CAS 40587-64-2), with molecular formula C9H7Br2NO4 and molecular weight 350.87 g/mol. IUPAC: ethyl 3,5-dibromo-4-nitrobenzoate.
Chemical Property Profile of Benzoic acid, 3,5-dibromo-4-nitro-, ethyl ester
Property Insights of Benzoic acid, 3,5-dibromo-4-nitro-, ethyl ester
The XLogP value of 3.4 indicates that Benzoic acid, 3,5-dibromo-4-nitro-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 3,5-dibromo-4-nitro-, ethyl ester. Following Lipinski's Rule of Five, Benzoic acid, 3,5-dibromo-4-nitro-, 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 Benzoic acid, 3,5-dibromo-4-nitro-, ethyl ester?
The CAS number of Benzoic acid, 3,5-dibromo-4-nitro-, ethyl ester is 40587-64-2.
What is the molecular formula of Benzoic acid, 3,5-dibromo-4-nitro-, ethyl ester?
The molecular formula of Benzoic acid, 3,5-dibromo-4-nitro-, ethyl ester is C9H7Br2NO4.
What is the molecular weight of Benzoic acid, 3,5-dibromo-4-nitro-, ethyl ester?
The molecular weight of Benzoic acid, 3,5-dibromo-4-nitro-, ethyl ester is 350.87 g/mol.
Where can I buy Benzoic acid, 3,5-dibromo-4-nitro-, ethyl ester?
You can request a quote for Benzoic acid, 3,5-dibromo-4-nitro-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 3,5-dibromo-4-nitro-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3,5-dibromo-4-nitro-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.