![2-[(3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]ethyl benzoate structure](/static/products/867/867136-13-8.png)
2-[(3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]ethyl benzoate
TL;DR: 2-[(3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]ethyl benzoate (CAS 867136-13-8) is a chemical compound with molecular formula C19H14ClNO4 and molecular weight 355.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]ethyl benzoate
Also Known As: AB00686352-01, F1663-0011, 2-[(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]ethyl benzoate, 2-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]ethyl benzoate, 2-((3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)ethyl benzoate
| Molecular Formula | C19H14ClNO4 |
|---|---|
| Molecular Weight | 355.06 g/mol |
| LogP | 2.9626 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 355.06113 |
| Heavy Atoms | 25 |
| Complexity | 874.0026 |
Chemical Identifiers
| CAS Number | 867136-13-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OCCNC2=C(C(=O)C3=CC=CC=C3C2=O)Cl |
Product Overview
2-[(3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]ethyl benzoate (CAS 867136-13-8), with molecular formula C19H14ClNO4 and molecular weight 355.06 g/mol. IUPAC: 2-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]ethyl benzoate.
Chemical Property Profile of 2-[(3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]ethyl benzoate
Property Insights of 2-[(3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]ethyl benzoate
The XLogP value of 2.9626 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]ethyl benzoate. The TPSA of 72.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]ethyl benzoate. Following Lipinski's Rule of Five, 2-[(3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]ethyl benzoate has 1 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 2-[(3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]ethyl benzoate?
The CAS number of 2-[(3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]ethyl benzoate is 867136-13-8.
What is the molecular formula of 2-[(3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]ethyl benzoate?
The molecular formula of 2-[(3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]ethyl benzoate is C19H14ClNO4.
What is the molecular weight of 2-[(3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]ethyl benzoate?
The molecular weight of 2-[(3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]ethyl benzoate is 355.06 g/mol.
Where can I buy 2-[(3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]ethyl benzoate?
You can request a quote for 2-[(3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]ethyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]ethyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]ethyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.