Benzoic acid, 3-((3-chloro-1,4-dihydro-1,4-dioxo-2-naphthalenyl)amino)-
TL;DR: Benzoic acid, 3-((3-chloro-1,4-dihydro-1,4-dioxo-2-naphthalenyl)amino)- (CAS 65111-92-4) 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.
3-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]benzoic acid
Also Known As: 1,4-Naphthoquinone der., 3-[(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]benzoic acid, 3-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]benzoic acid, Benzoic acid, 3-((3-chloro-1,4-dihydro-1,4-dioxo-2-naphthalenyl)amino)-, 3-[(3-chloro-1,4-diketo-2-naphthyl)amino]benzoic acid
| Molecular Formula | C17H10ClNO4 |
|---|---|
| Molecular Weight | 327.03 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 83.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 327.02985 |
| Heavy Atoms | 23 |
| Complexity | 571.0 |
Chemical Identifiers
| CAS Number | 65111-92-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)NC3=CC=CC(=C3)C(=O)O |
| InChIKey | TYLPTGMQARBNQU-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 3-((3-chloro-1,4-dihydro-1,4-dioxo-2-naphthalenyl)amino)- (CAS 65111-92-4), with molecular formula C17H10ClNO4 and molecular weight 327.03 g/mol. IUPAC: 3-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]benzoic acid.
Chemical Property Profile of Benzoic acid, 3-((3-chloro-1,4-dihydro-1,4-dioxo-2-naphthalenyl)amino)-
Property Insights of Benzoic acid, 3-((3-chloro-1,4-dihydro-1,4-dioxo-2-naphthalenyl)amino)-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 3-((3-chloro-1,4-dihydro-1,4-dioxo-2-naphthalenyl)amino)-. The TPSA of 83.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 3-((3-chloro-1,4-dihydro-1,4-dioxo-2-naphthalenyl)amino)-. Following Lipinski's Rule of Five, Benzoic acid, 3-((3-chloro-1,4-dihydro-1,4-dioxo-2-naphthalenyl)amino)- 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 Benzoic acid, 3-((3-chloro-1,4-dihydro-1,4-dioxo-2-naphthalenyl)amino)-?
The CAS number of Benzoic acid, 3-((3-chloro-1,4-dihydro-1,4-dioxo-2-naphthalenyl)amino)- is 65111-92-4.
What is the molecular formula of Benzoic acid, 3-((3-chloro-1,4-dihydro-1,4-dioxo-2-naphthalenyl)amino)-?
The molecular formula of Benzoic acid, 3-((3-chloro-1,4-dihydro-1,4-dioxo-2-naphthalenyl)amino)- is C17H10ClNO4.
What is the molecular weight of Benzoic acid, 3-((3-chloro-1,4-dihydro-1,4-dioxo-2-naphthalenyl)amino)-?
The molecular weight of Benzoic acid, 3-((3-chloro-1,4-dihydro-1,4-dioxo-2-naphthalenyl)amino)- is 327.03 g/mol.
Where can I buy Benzoic acid, 3-((3-chloro-1,4-dihydro-1,4-dioxo-2-naphthalenyl)amino)-?
You can request a quote for Benzoic acid, 3-((3-chloro-1,4-dihydro-1,4-dioxo-2-naphthalenyl)amino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 3-((3-chloro-1,4-dihydro-1,4-dioxo-2-naphthalenyl)amino)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3-((3-chloro-1,4-dihydro-1,4-dioxo-2-naphthalenyl)amino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.