4-Dimethylamino-3,5-dinitrobenzoic acid
TL;DR: 4-Dimethylamino-3,5-dinitrobenzoic acid (CAS 53639-29-5) is a chemical compound with molecular formula C9H9N3O6 and molecular weight 255.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(dimethylamino)-3,5-dinitrobenzoic acid
Also Known As: 4-Dimethylamino-3,5-dinitrobenzoic acid, 4-(dimethylamino)-3,5-dinitrobenzoic acid, 4-Dimethylamino-3,5-dinitrobenzoesaure, 2-Dimethylamino-3,5-dinitrobenzoic acid, 4-Dimethylamino-3,5-dinitro-benzoesaeure
| Molecular Formula | C9H9N3O6 |
|---|---|
| Molecular Weight | 255.05 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 255.04913 |
| Heavy Atoms | 18 |
| Complexity | 336.0 |
Chemical Identifiers
| CAS Number | 53639-29-5 |
|---|---|
| SMILES | CN(C)C1=C(C=C(C=C1[N+](=O)[O-])C(=O)O)[N+](=O)[O-] |
| InChIKey | HPESPZDCCQMDOO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Dimethylamino-3,5-dinitrobenzoic acid (CAS 53639-29-5), with molecular formula C9H9N3O6 and molecular weight 255.05 g/mol. IUPAC: 4-(dimethylamino)-3,5-dinitrobenzoic acid.
Chemical Property Profile of 4-Dimethylamino-3,5-dinitrobenzoic acid
Property Insights of 4-Dimethylamino-3,5-dinitrobenzoic acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Dimethylamino-3,5-dinitrobenzoic acid. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Dimethylamino-3,5-dinitrobenzoic acid. Following Lipinski's Rule of Five, 4-Dimethylamino-3,5-dinitrobenzoic acid 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 4-Dimethylamino-3,5-dinitrobenzoic acid?
The CAS number of 4-Dimethylamino-3,5-dinitrobenzoic acid is 53639-29-5.
What is the molecular formula of 4-Dimethylamino-3,5-dinitrobenzoic acid?
The molecular formula of 4-Dimethylamino-3,5-dinitrobenzoic acid is C9H9N3O6.
What is the molecular weight of 4-Dimethylamino-3,5-dinitrobenzoic acid?
The molecular weight of 4-Dimethylamino-3,5-dinitrobenzoic acid is 255.05 g/mol.
Where can I buy 4-Dimethylamino-3,5-dinitrobenzoic acid?
You can request a quote for 4-Dimethylamino-3,5-dinitrobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Dimethylamino-3,5-dinitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Dimethylamino-3,5-dinitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.