2-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)benzoic acid
TL;DR: 2-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)benzoic acid (CAS 64505-75-5) is a chemical compound with molecular formula C17H10ClNO4 and molecular weight 327.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]benzoic acid
Also Known As: 2-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]benzoic acid, 2-[(3-chloro-1,4-dioxo-naphthalen-2-yl)amino]benzoic Acid, 2-((3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)benzoic acid, 2-[(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]benzoic acid
| Molecular Formula | C17H10ClNO4 |
|---|---|
| Molecular Weight | 327.03 g/mol |
| LogP | 3.3263 |
| Topological Polar Surface Area | 83.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 327.02985 |
| Heavy Atoms | 23 |
| Complexity | 885.66705 |
Chemical Identifiers
| CAS Number | 64505-75-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)NC3=CC=CC=C3C(=O)O |
Product Overview
2-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)benzoic acid (CAS 64505-75-5), with molecular formula C17H10ClNO4 and molecular weight 327.03 g/mol. IUPAC: 2-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]benzoic acid.
Chemical Property Profile of 2-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)benzoic acid
Property Insights of 2-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)benzoic acid
The XLogP value of 3.3263 indicates that 2-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)benzoic acid. Following Lipinski's Rule of Five, 2-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)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 2-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)benzoic acid?
The CAS number of 2-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)benzoic acid is 64505-75-5.
What is the molecular formula of 2-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)benzoic acid?
The molecular formula of 2-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)benzoic acid is C17H10ClNO4.
What is the molecular weight of 2-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)benzoic acid?
The molecular weight of 2-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)benzoic acid is 327.03 g/mol.
Where can I buy 2-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)benzoic acid?
You can request a quote for 2-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)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 2-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.