4-(Dimethylamino)-3-nitrobenzoic acid
TL;DR: 4-(Dimethylamino)-3-nitrobenzoic acid (CAS 28096-56-2) is a chemical compound with molecular formula C9H10N2O4 and molecular weight 210.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(dimethylamino)-3-nitrobenzoic acid
Also Known As: 4-(dimethylamino)-3-nitrobenzoic acid, 4-dimethylamino-3-nitro-benzoic Acid, 4-(Dimethylamino)-3-nitrobenzoicacid, 4-(dimethylamino)-3-nitro-benzoic acid, Benzoic acid,4-(dimethylamino)-3-nitro-
| Molecular Formula | C9H10N2O4 |
|---|---|
| Molecular Weight | 210.06 g/mol |
| LogP | 1.359 |
| Topological Polar Surface Area | 83.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 210.06406 |
| Heavy Atoms | 15 |
| Complexity | 414.57343 |
Chemical Identifiers
| CAS Number | 28096-56-2 |
|---|---|
| SMILES | CN(C)C1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-] |
Product Overview
4-(Dimethylamino)-3-nitrobenzoic acid (CAS 28096-56-2), with molecular formula C9H10N2O4 and molecular weight 210.06 g/mol. IUPAC: 4-(dimethylamino)-3-nitrobenzoic acid.
Chemical Property Profile of 4-(Dimethylamino)-3-nitrobenzoic acid
Property Insights of 4-(Dimethylamino)-3-nitrobenzoic acid
The XLogP value of 1.359 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Dimethylamino)-3-nitrobenzoic acid. The TPSA of 83.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Dimethylamino)-3-nitrobenzoic acid. Following Lipinski's Rule of Five, 4-(Dimethylamino)-3-nitrobenzoic acid has 1 hydrogen bond donor(s) and 4 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-nitrobenzoic acid?
The CAS number of 4-(Dimethylamino)-3-nitrobenzoic acid is 28096-56-2.
What is the molecular formula of 4-(Dimethylamino)-3-nitrobenzoic acid?
The molecular formula of 4-(Dimethylamino)-3-nitrobenzoic acid is C9H10N2O4.
What is the molecular weight of 4-(Dimethylamino)-3-nitrobenzoic acid?
The molecular weight of 4-(Dimethylamino)-3-nitrobenzoic acid is 210.06 g/mol.
Where can I buy 4-(Dimethylamino)-3-nitrobenzoic acid?
You can request a quote for 4-(Dimethylamino)-3-nitrobenzoic 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-nitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(Dimethylamino)-3-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.