![2-[2-[(3-Chloro-1,4-dioxonaphthalen-2-yl)amino]ethoxy]ethyl 4-chlorobenzoate structure](/static/products/3314/331462-33-0.webp)
2-[2-[(3-Chloro-1,4-dioxonaphthalen-2-yl)amino]ethoxy]ethyl 4-chlorobenzoate
TL;DR: 2-[2-[(3-Chloro-1,4-dioxonaphthalen-2-yl)amino]ethoxy]ethyl 4-chlorobenzoate (CAS 331462-33-0) is a chemical compound with molecular formula C21H17Cl2NO5 and molecular weight 433.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]ethoxy]ethyl 4-chlorobenzoate
Also Known As: AA-768/33244054, 2-{2-[(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]ethoxy}ethyl 4-chlorobenzoate, 2-[2-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]ethoxy]ethyl 4-chlorobenzoate, 2-{2-[(3-chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)amino]ethoxy}ethyl 4-chlorobenzenecarboxylate, 2-{2-[(3-chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)amino]ethoxy}ethyl 4-chlorobenzoate
| Molecular Formula | C21H17Cl2NO5 |
|---|---|
| Molecular Weight | 433.05 g/mol |
| LogP | 3.6326 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 433.04837 |
| Heavy Atoms | 29 |
| Complexity | 969.2917 |
Chemical Identifiers
| CAS Number | 331462-33-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)NCCOCCOC(=O)C3=CC=C(C=C3)Cl |
Product Overview
2-[2-[(3-Chloro-1,4-dioxonaphthalen-2-yl)amino]ethoxy]ethyl 4-chlorobenzoate (CAS 331462-33-0), with molecular formula C21H17Cl2NO5 and molecular weight 433.05 g/mol. IUPAC: 2-[2-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]ethoxy]ethyl 4-chlorobenzoate.
Chemical Property Profile of 2-[2-[(3-Chloro-1,4-dioxonaphthalen-2-yl)amino]ethoxy]ethyl 4-chlorobenzoate
Property Insights of 2-[2-[(3-Chloro-1,4-dioxonaphthalen-2-yl)amino]ethoxy]ethyl 4-chlorobenzoate
The XLogP value of 3.6326 indicates that 2-[2-[(3-Chloro-1,4-dioxonaphthalen-2-yl)amino]ethoxy]ethyl 4-chlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[2-[(3-Chloro-1,4-dioxonaphthalen-2-yl)amino]ethoxy]ethyl 4-chlorobenzoate. Following Lipinski's Rule of Five, 2-[2-[(3-Chloro-1,4-dioxonaphthalen-2-yl)amino]ethoxy]ethyl 4-chlorobenzoate has 1 hydrogen bond donor(s) and 6 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-[2-[(3-Chloro-1,4-dioxonaphthalen-2-yl)amino]ethoxy]ethyl 4-chlorobenzoate?
The CAS number of 2-[2-[(3-Chloro-1,4-dioxonaphthalen-2-yl)amino]ethoxy]ethyl 4-chlorobenzoate is 331462-33-0.
What is the molecular formula of 2-[2-[(3-Chloro-1,4-dioxonaphthalen-2-yl)amino]ethoxy]ethyl 4-chlorobenzoate?
The molecular formula of 2-[2-[(3-Chloro-1,4-dioxonaphthalen-2-yl)amino]ethoxy]ethyl 4-chlorobenzoate is C21H17Cl2NO5.
What is the molecular weight of 2-[2-[(3-Chloro-1,4-dioxonaphthalen-2-yl)amino]ethoxy]ethyl 4-chlorobenzoate?
The molecular weight of 2-[2-[(3-Chloro-1,4-dioxonaphthalen-2-yl)amino]ethoxy]ethyl 4-chlorobenzoate is 433.05 g/mol.
Where can I buy 2-[2-[(3-Chloro-1,4-dioxonaphthalen-2-yl)amino]ethoxy]ethyl 4-chlorobenzoate?
You can request a quote for 2-[2-[(3-Chloro-1,4-dioxonaphthalen-2-yl)amino]ethoxy]ethyl 4-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[2-[(3-Chloro-1,4-dioxonaphthalen-2-yl)amino]ethoxy]ethyl 4-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-[(3-Chloro-1,4-dioxonaphthalen-2-yl)amino]ethoxy]ethyl 4-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.