Methyl 5-bromo-2-hydroxy-3-nitrobenzoate
TL;DR: Methyl 5-bromo-2-hydroxy-3-nitrobenzoate (CAS 91983-31-2) is a chemical compound with molecular formula C8H6BrNO5 and molecular weight 274.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-bromo-2-hydroxy-3-nitrobenzoate
Also Known As: methyl 5-bromo-2-hydroxy-3-nitrobenzoate, Methylionone, Methyl 5-bromo-2-hydroxy-3-nitrobenzenecarboxylate, Methyl-3-nitro-5-bromosalicylate, Methyl5-bromo-2-hydroxy-3-nitrobenzoate
| Molecular Formula | C8H6BrNO5 |
|---|---|
| Molecular Weight | 274.94 g/mol |
| LogP | 1.8495 |
| Topological Polar Surface Area | 89.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 274.94293 |
| Heavy Atoms | 15 |
| Complexity | 431.28537 |
Chemical Identifiers
| CAS Number | 91983-31-2 |
|---|---|
| SMILES | COC(=O)C1=C(C(=CC(=C1)Br)[N+](=O)[O-])O |
Product Overview
Methyl 5-bromo-2-hydroxy-3-nitrobenzoate (CAS 91983-31-2), with molecular formula C8H6BrNO5 and molecular weight 274.94 g/mol. IUPAC: methyl 5-bromo-2-hydroxy-3-nitrobenzoate.
Chemical Property Profile of Methyl 5-bromo-2-hydroxy-3-nitrobenzoate
Property Insights of Methyl 5-bromo-2-hydroxy-3-nitrobenzoate
The XLogP value of 1.8495 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5-bromo-2-hydroxy-3-nitrobenzoate. The TPSA of 89.67 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 5-bromo-2-hydroxy-3-nitrobenzoate. Following Lipinski's Rule of Five, Methyl 5-bromo-2-hydroxy-3-nitrobenzoate has 1 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-2-hydroxy-3-nitrobenzoate?
The CAS number of Methyl 5-bromo-2-hydroxy-3-nitrobenzoate is 91983-31-2.
What is the molecular formula of Methyl 5-bromo-2-hydroxy-3-nitrobenzoate?
The molecular formula of Methyl 5-bromo-2-hydroxy-3-nitrobenzoate is C8H6BrNO5.
What is the molecular weight of Methyl 5-bromo-2-hydroxy-3-nitrobenzoate?
The molecular weight of Methyl 5-bromo-2-hydroxy-3-nitrobenzoate is 274.94 g/mol.
Where can I buy Methyl 5-bromo-2-hydroxy-3-nitrobenzoate?
You can request a quote for Methyl 5-bromo-2-hydroxy-3-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-2-hydroxy-3-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-bromo-2-hydroxy-3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.