Methyl 5-bromo-3-methoxy-2-nitrobenzoate
TL;DR: Methyl 5-bromo-3-methoxy-2-nitrobenzoate (CAS 56709-72-9) is a chemical compound with molecular formula C9H8BrNO5 and molecular weight 288.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-bromo-3-methoxy-2-nitrobenzoate
Also Known As: methyl 5-bromo-3-methoxy-2-nitrobenzoate, Methyl 5-bromo-3-methoxy-2-nitro-benzoate, benzoic acid, 5-bromo-3-methoxy-2-nitro-, methyl ester
| Molecular Formula | C9H8BrNO5 |
|---|---|
| Molecular Weight | 288.96 g/mol |
| LogP | 2.1525 |
| Topological Polar Surface Area | 78.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 288.9586 |
| Heavy Atoms | 16 |
| Complexity | 445.77063 |
Chemical Identifiers
| CAS Number | 56709-72-9 |
|---|---|
| SMILES | COC1=CC(=CC(=C1[N+](=O)[O-])C(=O)OC)Br |
Product Overview
Methyl 5-bromo-3-methoxy-2-nitrobenzoate (CAS 56709-72-9), with molecular formula C9H8BrNO5 and molecular weight 288.96 g/mol. IUPAC: methyl 5-bromo-3-methoxy-2-nitrobenzoate.
Chemical Property Profile of Methyl 5-bromo-3-methoxy-2-nitrobenzoate
Property Insights of Methyl 5-bromo-3-methoxy-2-nitrobenzoate
The XLogP value of 2.1525 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5-bromo-3-methoxy-2-nitrobenzoate. The TPSA of 78.67 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 5-bromo-3-methoxy-2-nitrobenzoate. Following Lipinski's Rule of Five, Methyl 5-bromo-3-methoxy-2-nitrobenzoate has 0 hydrogen bond donor(s) and 5 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 5-bromo-3-methoxy-2-nitrobenzoate?
The CAS number of Methyl 5-bromo-3-methoxy-2-nitrobenzoate is 56709-72-9.
What is the molecular formula of Methyl 5-bromo-3-methoxy-2-nitrobenzoate?
The molecular formula of Methyl 5-bromo-3-methoxy-2-nitrobenzoate is C9H8BrNO5.
What is the molecular weight of Methyl 5-bromo-3-methoxy-2-nitrobenzoate?
The molecular weight of Methyl 5-bromo-3-methoxy-2-nitrobenzoate is 288.96 g/mol.
Where can I buy Methyl 5-bromo-3-methoxy-2-nitrobenzoate?
You can request a quote for Methyl 5-bromo-3-methoxy-2-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-bromo-3-methoxy-2-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-bromo-3-methoxy-2-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.