![[4-[(3-Chloro-1,4-dioxonaphthalen-2-yl)amino]phenyl] 4-nitrobenzoate structure](/static/products/488/488733-19-3.png)
[4-[(3-Chloro-1,4-dioxonaphthalen-2-yl)amino]phenyl] 4-nitrobenzoate
TL;DR: [4-[(3-Chloro-1,4-dioxonaphthalen-2-yl)amino]phenyl] 4-nitrobenzoate (CAS 488733-19-3) 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.
[4-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]phenyl] 4-nitrobenzoate
Also Known As: [4-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]phenyl] 4-nitrobenzoate|4-Nitro-benzoic acid 4-(3-chloro-1,4-dioxo-1,4-dihydro-naphthalen-2-ylamino)-phenyl ester|[4-[(3-chloro-1,4-dioxo-naphthalen-2-yl)amino]phenyl] 4-nitrobenzoate|[4-[[3-chloranyl-1,4-bis(oxidanylidene)naphthalen-2-yl]amino]phenyl] 4-nitrobenzoate|4-((3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)phenyl 4-nitrobenzoate|4-[(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]phenyl 4-nitrobenzoate|4-nitrobenzoic acid [4-[(3-chloro-1,4-diketo-2-naphthyl)amino]phenyl] ester|4-nitrobenzoic acid [4-[(3-chloro-1,4-dioxo-2-naphthalenyl)amino]phenyl] ester|MLS000591732|SMR000218750|cid_1952961
| 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 | 1296.8218 |
Chemical Identifiers
| CAS Number | 488733-19-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
[4-[(3-Chloro-1,4-dioxonaphthalen-2-yl)amino]phenyl] 4-nitrobenzoate (CAS 488733-19-3), with molecular formula C23H13ClN2O6 and molecular weight 448.05 g/mol. IUPAC: [4-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]phenyl] 4-nitrobenzoate.
Chemical Property Profile of [4-[(3-Chloro-1,4-dioxonaphthalen-2-yl)amino]phenyl] 4-nitrobenzoate
Property Insights of [4-[(3-Chloro-1,4-dioxonaphthalen-2-yl)amino]phenyl] 4-nitrobenzoate
The XLogP value of 4.7555 indicates that [4-[(3-Chloro-1,4-dioxonaphthalen-2-yl)amino]phenyl] 4-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 [4-[(3-Chloro-1,4-dioxonaphthalen-2-yl)amino]phenyl] 4-nitrobenzoate. Following Lipinski's Rule of Five, [4-[(3-Chloro-1,4-dioxonaphthalen-2-yl)amino]phenyl] 4-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 [4-[(3-Chloro-1,4-dioxonaphthalen-2-yl)amino]phenyl] 4-nitrobenzoate?
The CAS number of [4-[(3-Chloro-1,4-dioxonaphthalen-2-yl)amino]phenyl] 4-nitrobenzoate is 488733-19-3.
What is the molecular formula of [4-[(3-Chloro-1,4-dioxonaphthalen-2-yl)amino]phenyl] 4-nitrobenzoate?
The molecular formula of [4-[(3-Chloro-1,4-dioxonaphthalen-2-yl)amino]phenyl] 4-nitrobenzoate is C23H13ClN2O6.
What is the molecular weight of [4-[(3-Chloro-1,4-dioxonaphthalen-2-yl)amino]phenyl] 4-nitrobenzoate?
The molecular weight of [4-[(3-Chloro-1,4-dioxonaphthalen-2-yl)amino]phenyl] 4-nitrobenzoate is 448.05 g/mol.
Where can I buy [4-[(3-Chloro-1,4-dioxonaphthalen-2-yl)amino]phenyl] 4-nitrobenzoate?
You can request a quote for [4-[(3-Chloro-1,4-dioxonaphthalen-2-yl)amino]phenyl] 4-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-[(3-Chloro-1,4-dioxonaphthalen-2-yl)amino]phenyl] 4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for [4-[(3-Chloro-1,4-dioxonaphthalen-2-yl)amino]phenyl] 4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.