2,4-Dibromo-6-methylphenyl 2-hydroxy-3,5-dinitrobenzoate
TL;DR: 2,4-Dibromo-6-methylphenyl 2-hydroxy-3,5-dinitrobenzoate (CAS 36776-52-0) is a chemical compound with molecular formula C14H8Br2N2O7 and molecular weight 473.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4-dibromo-6-methylphenyl) 2-hydroxy-3,5-dinitrobenzoate
Also Known As: 2,4-dibromo-6-methylphenyl 2-hydroxy-3,5-dinitrobenzoate, 3,5-Dinitrosalicylic acid 2,4-dibromo-6-methylphenyl ester, 4,6-Dibromo-2-methylphenyl 2-hydroxy-3,5-dinitrobenzoate, (2,4-dibromo-6-methyl-phenyl) 2-hydroxy-3,5-dinitro-benzoate, (2,4-dibromo-6-methylphenyl) 2-hydroxy-3,5-dinitrobenzoate
| Molecular Formula | C14H8Br2N2O7 |
|---|---|
| Molecular Weight | 473.87 g/mol |
| LogP | 4.26122 |
| Topological Polar Surface Area | 132.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 473.86984 |
| Heavy Atoms | 25 |
| Complexity | 891.28864 |
Chemical Identifiers
| CAS Number | 36776-52-0 |
|---|---|
| SMILES | CC1=CC(=CC(=C1OC(=O)C2=C(C(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])O)Br)Br |
Product Overview
2,4-Dibromo-6-methylphenyl 2-hydroxy-3,5-dinitrobenzoate (CAS 36776-52-0), with molecular formula C14H8Br2N2O7 and molecular weight 473.87 g/mol. IUPAC: (2,4-dibromo-6-methylphenyl) 2-hydroxy-3,5-dinitrobenzoate.
Chemical Property Profile of 2,4-Dibromo-6-methylphenyl 2-hydroxy-3,5-dinitrobenzoate
Property Insights of 2,4-Dibromo-6-methylphenyl 2-hydroxy-3,5-dinitrobenzoate
The XLogP value of 4.26122 indicates that 2,4-Dibromo-6-methylphenyl 2-hydroxy-3,5-dinitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Dibromo-6-methylphenyl 2-hydroxy-3,5-dinitrobenzoate. Following Lipinski's Rule of Five, 2,4-Dibromo-6-methylphenyl 2-hydroxy-3,5-dinitrobenzoate has 1 hydrogen bond donor(s) and 7 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 2,4-Dibromo-6-methylphenyl 2-hydroxy-3,5-dinitrobenzoate?
The CAS number of 2,4-Dibromo-6-methylphenyl 2-hydroxy-3,5-dinitrobenzoate is 36776-52-0.
What is the molecular formula of 2,4-Dibromo-6-methylphenyl 2-hydroxy-3,5-dinitrobenzoate?
The molecular formula of 2,4-Dibromo-6-methylphenyl 2-hydroxy-3,5-dinitrobenzoate is C14H8Br2N2O7.
What is the molecular weight of 2,4-Dibromo-6-methylphenyl 2-hydroxy-3,5-dinitrobenzoate?
The molecular weight of 2,4-Dibromo-6-methylphenyl 2-hydroxy-3,5-dinitrobenzoate is 473.87 g/mol.
Where can I buy 2,4-Dibromo-6-methylphenyl 2-hydroxy-3,5-dinitrobenzoate?
You can request a quote for 2,4-Dibromo-6-methylphenyl 2-hydroxy-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 2,4-Dibromo-6-methylphenyl 2-hydroxy-3,5-dinitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dibromo-6-methylphenyl 2-hydroxy-3,5-dinitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.