2-(3,5-Dinitrobenzoyl)oxy-2-methylpropanoic acid
TL;DR: 2-(3,5-Dinitrobenzoyl)oxy-2-methylpropanoic acid (CAS 7472-03-9) is a chemical compound with molecular formula C11H10N2O8 and molecular weight 298.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,5-dinitrobenzoyl)oxy-2-methylpropanoic acid
Also Known As: 2-(3,5-dinitrobenzoyl)oxy-2-methylpropanoic acid, 2-[(3,5-Dinitrobenzoyl)oxy]-2-methylpropanoic acid
| Molecular Formula | C11H10N2O8 |
|---|---|
| Molecular Weight | 298.04 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 298.0437 |
| Heavy Atoms | 21 |
| Complexity | 442.0 |
Chemical Identifiers
| CAS Number | 7472-03-9 |
|---|---|
| SMILES | CC(C)(C(=O)O)OC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | HJAXJFXYRLGRIV-UHFFFAOYSA-N |
Product Overview
2-(3,5-Dinitrobenzoyl)oxy-2-methylpropanoic acid (CAS 7472-03-9), with molecular formula C11H10N2O8 and molecular weight 298.04 g/mol. IUPAC: 2-(3,5-dinitrobenzoyl)oxy-2-methylpropanoic acid.
Chemical Property Profile of 2-(3,5-Dinitrobenzoyl)oxy-2-methylpropanoic acid
Property Insights of 2-(3,5-Dinitrobenzoyl)oxy-2-methylpropanoic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3,5-Dinitrobenzoyl)oxy-2-methylpropanoic acid. The TPSA of 155.0 Ų indicates high polarity, suggesting 2-(3,5-Dinitrobenzoyl)oxy-2-methylpropanoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(3,5-Dinitrobenzoyl)oxy-2-methylpropanoic acid has 1 hydrogen bond donor(s) and 8 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-(3,5-Dinitrobenzoyl)oxy-2-methylpropanoic acid?
The CAS number of 2-(3,5-Dinitrobenzoyl)oxy-2-methylpropanoic acid is 7472-03-9.
What is the molecular formula of 2-(3,5-Dinitrobenzoyl)oxy-2-methylpropanoic acid?
The molecular formula of 2-(3,5-Dinitrobenzoyl)oxy-2-methylpropanoic acid is C11H10N2O8.
What is the molecular weight of 2-(3,5-Dinitrobenzoyl)oxy-2-methylpropanoic acid?
The molecular weight of 2-(3,5-Dinitrobenzoyl)oxy-2-methylpropanoic acid is 298.04 g/mol.
Where can I buy 2-(3,5-Dinitrobenzoyl)oxy-2-methylpropanoic acid?
You can request a quote for 2-(3,5-Dinitrobenzoyl)oxy-2-methylpropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3,5-Dinitrobenzoyl)oxy-2-methylpropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,5-Dinitrobenzoyl)oxy-2-methylpropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.