4-((2-(acetylamino)-9H-fluoren-9-ylidene)amino)benzoic acid
TL;DR: 4-((2-(acetylamino)-9H-fluoren-9-ylidene)amino)benzoic acid (CAS 6314-14-3) is a chemical compound with molecular formula C22H16N2O3 and molecular weight 356.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2-acetamidofluoren-9-ylidene)amino]benzoic acid
Also Known As: NCIStruc1_001249, NCIStruc2_001157, 4-Fluoren-9-ylidenamino-benzoesaeure, NCI60_001879, 4-[(2-acetamidofluoren-9-ylidene)amino]benzoic acid
| Molecular Formula | C22H16N2O3 |
|---|---|
| Molecular Weight | 356.12 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 78.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 356.1161 |
| Heavy Atoms | 27 |
| Complexity | 609.0 |
Chemical Identifiers
| CAS Number | 6314-14-3 |
|---|---|
| SMILES | CC(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3C2=NC4=CC=C(C=C4)C(=O)O |
| InChIKey | GWEBVBWBASDHFZ-UHFFFAOYSA-N |
Product Overview
4-((2-(acetylamino)-9H-fluoren-9-ylidene)amino)benzoic acid (CAS 6314-14-3), with molecular formula C22H16N2O3 and molecular weight 356.12 g/mol. IUPAC: 4-[(2-acetamidofluoren-9-ylidene)amino]benzoic acid.
Chemical Property Profile of 4-((2-(acetylamino)-9H-fluoren-9-ylidene)amino)benzoic acid
Property Insights of 4-((2-(acetylamino)-9H-fluoren-9-ylidene)amino)benzoic acid
The XLogP value of 3.6 indicates that 4-((2-(acetylamino)-9H-fluoren-9-ylidene)amino)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((2-(acetylamino)-9H-fluoren-9-ylidene)amino)benzoic acid. Following Lipinski's Rule of Five, 4-((2-(acetylamino)-9H-fluoren-9-ylidene)amino)benzoic acid has 2 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-((2-(acetylamino)-9H-fluoren-9-ylidene)amino)benzoic acid?
The CAS number of 4-((2-(acetylamino)-9H-fluoren-9-ylidene)amino)benzoic acid is 6314-14-3.
What is the molecular formula of 4-((2-(acetylamino)-9H-fluoren-9-ylidene)amino)benzoic acid?
The molecular formula of 4-((2-(acetylamino)-9H-fluoren-9-ylidene)amino)benzoic acid is C22H16N2O3.
What is the molecular weight of 4-((2-(acetylamino)-9H-fluoren-9-ylidene)amino)benzoic acid?
The molecular weight of 4-((2-(acetylamino)-9H-fluoren-9-ylidene)amino)benzoic acid is 356.12 g/mol.
Where can I buy 4-((2-(acetylamino)-9H-fluoren-9-ylidene)amino)benzoic acid?
You can request a quote for 4-((2-(acetylamino)-9H-fluoren-9-ylidene)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 4-((2-(acetylamino)-9H-fluoren-9-ylidene)amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-((2-(acetylamino)-9H-fluoren-9-ylidene)amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.