3,5-Dinitro-4-hydroxybenzoic acid
TL;DR: 3,5-Dinitro-4-hydroxybenzoic acid (CAS 1019-52-9) is a chemical compound with molecular formula C7H4N2O7 and molecular weight 228.00185 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-hydroxy-3,5-dinitrobenzoic acid
Also Known As: 4-Hydroxy-3,5-dinitrobenzoic acid, 3,5-Dinitro-4-hydroxybenzoic acid, Benzoic acid, 4-hydroxy-3,5-dinitro-, Boc-Asp(OBzl)-ONp, Hydroxydinitrobenzoic acid
Application Areas
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H4N2O7 |
| Molecular Weight | 228.00185 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 149.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 228.00185 Da |
| Heavy Atoms | 16 |
| Complexity | 296.0 |
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])C(=O)O |
| InChIKey | GBSWIDSKAJFWMF-UHFFFAOYSA-N |
Chemical Property Profile of 3,5-Dinitro-4-hydroxybenzoic acid
Property Insights of 3,5-Dinitro-4-hydroxybenzoic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dinitro-4-hydroxybenzoic acid. The TPSA of 149.0 Ų indicates high polarity, suggesting 3,5-Dinitro-4-hydroxybenzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3,5-Dinitro-4-hydroxybenzoic acid has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3,5-Dinitro-4-hydroxybenzoic acid?
The CAS number of 3,5-Dinitro-4-hydroxybenzoic acid is 1019-52-9.
What is the molecular formula of 3,5-Dinitro-4-hydroxybenzoic acid?
The molecular formula of 3,5-Dinitro-4-hydroxybenzoic acid is C7H4N2O7.
What is the molecular weight of 3,5-Dinitro-4-hydroxybenzoic acid?
The molecular weight of 3,5-Dinitro-4-hydroxybenzoic acid is 228.00185 g/mol.
Where can I buy 3,5-Dinitro-4-hydroxybenzoic acid?
You can request a quote for 3,5-Dinitro-4-hydroxybenzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,5-Dinitro-4-hydroxybenzoic acid?
Yes, CoreyChem provides custom synthesis services for 3,5-Dinitro-4-hydroxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.