4-(Diethylamino)-3-nitrobenzoic acid
TL;DR: 4-(Diethylamino)-3-nitrobenzoic acid (CAS 413583-48-9) is a chemical compound with molecular formula C11H14N2O4 and molecular weight 238.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(diethylamino)-3-nitrobenzoic acid
Also Known As: 4-(diethylamino)-3-nitrobenzoic acid, 4-diethylamino-3-nitro-benzoic Acid, 4-(diethylamino)-3-nitrobenzoicacid, BB 0246108, BRD-K28267904-001-01-3
| Molecular Formula | C11H14N2O4 |
|---|---|
| Molecular Weight | 238.10 g/mol |
| LogP | 2.1392 |
| Topological Polar Surface Area | 83.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 238.09535 |
| Heavy Atoms | 17 |
| Complexity | 441.09763 |
Chemical Identifiers
| CAS Number | 413583-48-9 |
|---|---|
| SMILES | CCN(CC)C1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-] |
Product Overview
4-(Diethylamino)-3-nitrobenzoic acid (CAS 413583-48-9), with molecular formula C11H14N2O4 and molecular weight 238.10 g/mol. IUPAC: 4-(diethylamino)-3-nitrobenzoic acid.
Chemical Property Profile of 4-(Diethylamino)-3-nitrobenzoic acid
Property Insights of 4-(Diethylamino)-3-nitrobenzoic acid
The XLogP value of 2.1392 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Diethylamino)-3-nitrobenzoic acid. The TPSA of 83.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Diethylamino)-3-nitrobenzoic acid. Following Lipinski's Rule of Five, 4-(Diethylamino)-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-(Diethylamino)-3-nitrobenzoic acid?
The CAS number of 4-(Diethylamino)-3-nitrobenzoic acid is 413583-48-9.
What is the molecular formula of 4-(Diethylamino)-3-nitrobenzoic acid?
The molecular formula of 4-(Diethylamino)-3-nitrobenzoic acid is C11H14N2O4.
What is the molecular weight of 4-(Diethylamino)-3-nitrobenzoic acid?
The molecular weight of 4-(Diethylamino)-3-nitrobenzoic acid is 238.10 g/mol.
Where can I buy 4-(Diethylamino)-3-nitrobenzoic acid?
You can request a quote for 4-(Diethylamino)-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-(Diethylamino)-3-nitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(Diethylamino)-3-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.