3-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)phenyl 2-chlorobenzoate
TL;DR: 3-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)phenyl 2-chlorobenzoate (CAS 799808-56-3) is a chemical compound with molecular formula C23H13Cl2NO4 and molecular weight 437.02 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]phenyl] 2-chlorobenzoate
Also Known As: [3-[(3-chloro-1,4-dioxo-naphthalen-2-yl)amino]phenyl] 2-chlorobenzoate|[3-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]phenyl] 2-chlorobenzoate|3-((3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)phenyl 2-chlorobenzoate|3-[(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]phenyl 2-chlorobenzoate
| Molecular Formula | C23H13Cl2NO4 |
|---|---|
| Molecular Weight | 437.02 g/mol |
| LogP | 5.5007 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 437.02216 |
| Heavy Atoms | 30 |
| Complexity | 1233.1326 |
Chemical Identifiers
| CAS Number | 799808-56-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)NC3=CC(=CC=C3)OC(=O)C4=CC=CC=C4Cl |
Product Overview
3-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)phenyl 2-chlorobenzoate (CAS 799808-56-3), with molecular formula C23H13Cl2NO4 and molecular weight 437.02 g/mol. IUPAC: [3-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]phenyl] 2-chlorobenzoate.
Chemical Property Profile of 3-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)phenyl 2-chlorobenzoate
Property Insights of 3-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)phenyl 2-chlorobenzoate
The XLogP value of 5.5007 indicates that 3-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)phenyl 2-chlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)phenyl 2-chlorobenzoate. Following Lipinski's Rule of Five, 3-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)phenyl 2-chlorobenzoate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)phenyl 2-chlorobenzoate?
The CAS number of 3-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)phenyl 2-chlorobenzoate is 799808-56-3.
What is the molecular formula of 3-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)phenyl 2-chlorobenzoate?
The molecular formula of 3-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)phenyl 2-chlorobenzoate is C23H13Cl2NO4.
What is the molecular weight of 3-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)phenyl 2-chlorobenzoate?
The molecular weight of 3-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)phenyl 2-chlorobenzoate is 437.02 g/mol.
Where can I buy 3-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)phenyl 2-chlorobenzoate?
You can request a quote for 3-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)phenyl 2-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)phenyl 2-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)phenyl 2-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.