![3-[[3-(4-Morpholinyl)-1,4-dioxo-2-naphthalenyl]amino]benzoic acid structure](/static/products/4399/439938-84-8.webp)
3-[[3-(4-Morpholinyl)-1,4-dioxo-2-naphthalenyl]amino]benzoic acid
TL;DR: 3-[[3-(4-Morpholinyl)-1,4-dioxo-2-naphthalenyl]amino]benzoic acid (CAS 439938-84-8) is a chemical compound with molecular formula C21H18N2O5 and molecular weight 378.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3-morpholin-4-yl-1,4-dioxonaphthalen-2-yl)amino]benzoic acid
Also Known As: ChemDiv1_024348, 3-[(3-morpholin-4-yl-1,4-dioxonaphthalen-2-yl)amino]benzoic acid, 3-[[3-(4-morpholinyl)-1,4-dioxo-2-naphthalenyl]amino]benzoic acid, A2851/0120311, 3-[(1,4-diketo-3-morpholino-2-naphthyl)amino]benzoic acid
| Molecular Formula | C21H18N2O5 |
|---|---|
| Molecular Weight | 378.12 g/mol |
| LogP | 2.4197 |
| Topological Polar Surface Area | 95.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 378.12158 |
| Heavy Atoms | 28 |
| Complexity | 1005.3605 |
Chemical Identifiers
| CAS Number | 439938-84-8 |
|---|---|
| SMILES | C1COCCN1C2=C(C(=O)C3=CC=CC=C3C2=O)NC4=CC=CC(=C4)C(=O)O |
Product Overview
3-[[3-(4-Morpholinyl)-1,4-dioxo-2-naphthalenyl]amino]benzoic acid (CAS 439938-84-8), with molecular formula C21H18N2O5 and molecular weight 378.12 g/mol. IUPAC: 3-[(3-morpholin-4-yl-1,4-dioxonaphthalen-2-yl)amino]benzoic acid.
Chemical Property Profile of 3-[[3-(4-Morpholinyl)-1,4-dioxo-2-naphthalenyl]amino]benzoic acid
Property Insights of 3-[[3-(4-Morpholinyl)-1,4-dioxo-2-naphthalenyl]amino]benzoic acid
The XLogP value of 2.4197 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[[3-(4-Morpholinyl)-1,4-dioxo-2-naphthalenyl]amino]benzoic acid. The TPSA of 95.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[[3-(4-Morpholinyl)-1,4-dioxo-2-naphthalenyl]amino]benzoic acid. Following Lipinski's Rule of Five, 3-[[3-(4-Morpholinyl)-1,4-dioxo-2-naphthalenyl]amino]benzoic acid has 2 hydrogen bond donor(s) and 6 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 3-[[3-(4-Morpholinyl)-1,4-dioxo-2-naphthalenyl]amino]benzoic acid?
The CAS number of 3-[[3-(4-Morpholinyl)-1,4-dioxo-2-naphthalenyl]amino]benzoic acid is 439938-84-8.
What is the molecular formula of 3-[[3-(4-Morpholinyl)-1,4-dioxo-2-naphthalenyl]amino]benzoic acid?
The molecular formula of 3-[[3-(4-Morpholinyl)-1,4-dioxo-2-naphthalenyl]amino]benzoic acid is C21H18N2O5.
What is the molecular weight of 3-[[3-(4-Morpholinyl)-1,4-dioxo-2-naphthalenyl]amino]benzoic acid?
The molecular weight of 3-[[3-(4-Morpholinyl)-1,4-dioxo-2-naphthalenyl]amino]benzoic acid is 378.12 g/mol.
Where can I buy 3-[[3-(4-Morpholinyl)-1,4-dioxo-2-naphthalenyl]amino]benzoic acid?
You can request a quote for 3-[[3-(4-Morpholinyl)-1,4-dioxo-2-naphthalenyl]amino]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[[3-(4-Morpholinyl)-1,4-dioxo-2-naphthalenyl]amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[[3-(4-Morpholinyl)-1,4-dioxo-2-naphthalenyl]amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.