4-(N-(3-((2-Fluorophenyl)amino)-4-oxonaphthalen-1(4H)-ylidene)sulfamoyl)benzoic acid
TL;DR: 4-(N-(3-((2-Fluorophenyl)amino)-4-oxonaphthalen-1(4H)-ylidene)sulfamoyl)benzoic acid (CAS 881489-65-2) is a chemical compound with molecular formula C23H15FN2O5S and molecular weight 450.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[3-(2-fluoroanilino)-4-oxonaphthalen-1-ylidene]amino]sulfonylbenzoic acid
Also Known As: 4-(N-(3-((2-Fluorophenyl)amino)-4-oxonaphthalen-1(4H)-ylidene)sulfamoyl)benzoic acid, 4-[[3-(2-fluoroanilino)-4-oxonaphthalen-1-ylidene]amino]sulfonylbenzoic acid, 4-[[3-[(2-fluorophenyl)amino]-4-oxo-naphthalen-1-ylidene]amino]sulfonylbenzoic Acid
| Molecular Formula | C23H15FN2O5S |
|---|---|
| Molecular Weight | 450.07 g/mol |
| LogP | 3.8942 |
| Topological Polar Surface Area | 112.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 450.06857 |
| Heavy Atoms | 32 |
| Complexity | 1410.3091 |
Chemical Identifiers
| CAS Number | 881489-65-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=NS(=O)(=O)C3=CC=C(C=C3)C(=O)O)C=C(C2=O)NC4=CC=CC=C4F |
Product Overview
4-(N-(3-((2-Fluorophenyl)amino)-4-oxonaphthalen-1(4H)-ylidene)sulfamoyl)benzoic acid (CAS 881489-65-2), with molecular formula C23H15FN2O5S and molecular weight 450.07 g/mol. IUPAC: 4-[[3-(2-fluoroanilino)-4-oxonaphthalen-1-ylidene]amino]sulfonylbenzoic acid.
Chemical Property Profile of 4-(N-(3-((2-Fluorophenyl)amino)-4-oxonaphthalen-1(4H)-ylidene)sulfamoyl)benzoic acid
Property Insights of 4-(N-(3-((2-Fluorophenyl)amino)-4-oxonaphthalen-1(4H)-ylidene)sulfamoyl)benzoic acid
The XLogP value of 3.8942 indicates that 4-(N-(3-((2-Fluorophenyl)amino)-4-oxonaphthalen-1(4H)-ylidene)sulfamoyl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(N-(3-((2-Fluorophenyl)amino)-4-oxonaphthalen-1(4H)-ylidene)sulfamoyl)benzoic acid. Following Lipinski's Rule of Five, 4-(N-(3-((2-Fluorophenyl)amino)-4-oxonaphthalen-1(4H)-ylidene)sulfamoyl)benzoic acid has 2 hydrogen bond donor(s) and 5 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-(N-(3-((2-Fluorophenyl)amino)-4-oxonaphthalen-1(4H)-ylidene)sulfamoyl)benzoic acid?
The CAS number of 4-(N-(3-((2-Fluorophenyl)amino)-4-oxonaphthalen-1(4H)-ylidene)sulfamoyl)benzoic acid is 881489-65-2.
What is the molecular formula of 4-(N-(3-((2-Fluorophenyl)amino)-4-oxonaphthalen-1(4H)-ylidene)sulfamoyl)benzoic acid?
The molecular formula of 4-(N-(3-((2-Fluorophenyl)amino)-4-oxonaphthalen-1(4H)-ylidene)sulfamoyl)benzoic acid is C23H15FN2O5S.
What is the molecular weight of 4-(N-(3-((2-Fluorophenyl)amino)-4-oxonaphthalen-1(4H)-ylidene)sulfamoyl)benzoic acid?
The molecular weight of 4-(N-(3-((2-Fluorophenyl)amino)-4-oxonaphthalen-1(4H)-ylidene)sulfamoyl)benzoic acid is 450.07 g/mol.
Where can I buy 4-(N-(3-((2-Fluorophenyl)amino)-4-oxonaphthalen-1(4H)-ylidene)sulfamoyl)benzoic acid?
You can request a quote for 4-(N-(3-((2-Fluorophenyl)amino)-4-oxonaphthalen-1(4H)-ylidene)sulfamoyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(N-(3-((2-Fluorophenyl)amino)-4-oxonaphthalen-1(4H)-ylidene)sulfamoyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(N-(3-((2-Fluorophenyl)amino)-4-oxonaphthalen-1(4H)-ylidene)sulfamoyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.