3-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)phenyl 3-nitrobenzoate
TL;DR: 3-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)phenyl 3-nitrobenzoate (CAS 498570-43-7) is a chemical compound with molecular formula C23H13ClN2O6 and molecular weight 448.05 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] 3-nitrobenzoate
Also Known As: [3-[(3-chloro-1,4-dioxo-naphthalen-2-yl)amino]phenyl] 3-nitrobenzoate|[3-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]phenyl] 3-nitrobenzoate|3-((3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)phenyl 3-nitrobenzoate|3-[(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]phenyl 3-nitrobenzoate
| Molecular Formula | C23H13ClN2O6 |
|---|---|
| Molecular Weight | 448.05 g/mol |
| LogP | 4.7555 |
| Topological Polar Surface Area | 115.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 448.0462 |
| Heavy Atoms | 32 |
| Complexity | 1331.3218 |
Chemical Identifiers
| CAS Number | 498570-43-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)NC3=CC(=CC=C3)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-] |
Product Overview
3-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)phenyl 3-nitrobenzoate (CAS 498570-43-7), with molecular formula C23H13ClN2O6 and molecular weight 448.05 g/mol. IUPAC: [3-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]phenyl] 3-nitrobenzoate.
Chemical Property Profile of 3-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)phenyl 3-nitrobenzoate
Property Insights of 3-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)phenyl 3-nitrobenzoate
The XLogP value of 4.7555 indicates that 3-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)phenyl 3-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.61 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 3-nitrobenzoate. Following Lipinski's Rule of Five, 3-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)phenyl 3-nitrobenzoate has 1 hydrogen bond donor(s) and 7 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 3-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)phenyl 3-nitrobenzoate?
The CAS number of 3-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)phenyl 3-nitrobenzoate is 498570-43-7.
What is the molecular formula of 3-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)phenyl 3-nitrobenzoate?
The molecular formula of 3-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)phenyl 3-nitrobenzoate is C23H13ClN2O6.
What is the molecular weight of 3-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)phenyl 3-nitrobenzoate?
The molecular weight of 3-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)phenyl 3-nitrobenzoate is 448.05 g/mol.
Where can I buy 3-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)phenyl 3-nitrobenzoate?
You can request a quote for 3-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)phenyl 3-nitrobenzoate 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 3-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)phenyl 3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.