Methyl 2-bromo-3,5-dinitrobenzoate
TL;DR: Methyl 2-bromo-3,5-dinitrobenzoate (CAS 3697-38-9) is a chemical compound with molecular formula C8H5BrN2O6 and molecular weight 303.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-bromo-3,5-dinitrobenzoate
Also Known As: methyl 2-bromo-3,5-dinitrobenzoate, methyl2-bromo-3,5-dinitrobenzoate, 2-Bromo-3,5-dinitro-benzoic acid methyl ester, methyl 2-bromanyl-3,5-dinitro-benzoate, 2-Brom-3,5-dinitro-benzoesaeure-methylester
| Molecular Formula | C8H5BrN2O6 |
|---|---|
| Molecular Weight | 303.93 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 303.9331 |
| Heavy Atoms | 17 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 3697-38-9 |
|---|---|
| SMILES | COC(=O)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])Br |
| InChIKey | XSJXJYYYTKHXQW-UHFFFAOYSA-N |
Product Overview
Methyl 2-bromo-3,5-dinitrobenzoate (CAS 3697-38-9), with molecular formula C8H5BrN2O6 and molecular weight 303.93 g/mol. IUPAC: methyl 2-bromo-3,5-dinitrobenzoate.
Chemical Property Profile of Methyl 2-bromo-3,5-dinitrobenzoate
Property Insights of Methyl 2-bromo-3,5-dinitrobenzoate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-bromo-3,5-dinitrobenzoate. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-bromo-3,5-dinitrobenzoate. Following Lipinski's Rule of Five, Methyl 2-bromo-3,5-dinitrobenzoate has 0 hydrogen bond donor(s) and 6 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 Methyl 2-bromo-3,5-dinitrobenzoate?
The CAS number of Methyl 2-bromo-3,5-dinitrobenzoate is 3697-38-9.
What is the molecular formula of Methyl 2-bromo-3,5-dinitrobenzoate?
The molecular formula of Methyl 2-bromo-3,5-dinitrobenzoate is C8H5BrN2O6.
What is the molecular weight of Methyl 2-bromo-3,5-dinitrobenzoate?
The molecular weight of Methyl 2-bromo-3,5-dinitrobenzoate is 303.93 g/mol.
Where can I buy Methyl 2-bromo-3,5-dinitrobenzoate?
You can request a quote for Methyl 2-bromo-3,5-dinitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-bromo-3,5-dinitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-bromo-3,5-dinitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.