Butyl 4-((3-morpholino-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)benzoate
TL;DR: Butyl 4-((3-morpholino-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)benzoate (CAS 371950-68-4) is a chemical compound with molecular formula C25H26N2O5 and molecular weight 434.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-[(3-morpholin-4-yl-1,4-dioxonaphthalen-2-yl)amino]benzoate
Also Known As: butyl 4-((3-morpholino-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)benzoate, butyl 4-[(3-morpholin-4-yl-1,4-dioxonaphthalen-2-yl)amino]benzoate, Butyl 4-[(3-morpholin-4-yl-1,4-dioxo-naphthalen-2-yl)amino]benzoate, butyl 4-{[3-(morpholin-4-yl)-1,4-dioxo-1,4-dihydronaphthalen-2-yl]amino}benzoate
| Molecular Formula | C25H26N2O5 |
|---|---|
| Molecular Weight | 434.18 g/mol |
| LogP | 3.6784 |
| Topological Polar Surface Area | 84.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 434.18417 |
| Heavy Atoms | 32 |
| Complexity | 1052.2568 |
Chemical Identifiers
| CAS Number | 371950-68-4 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)NC2=C(C(=O)C3=CC=CC=C3C2=O)N4CCOCC4 |
Product Overview
Butyl 4-((3-morpholino-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)benzoate (CAS 371950-68-4), with molecular formula C25H26N2O5 and molecular weight 434.18 g/mol. IUPAC: butyl 4-[(3-morpholin-4-yl-1,4-dioxonaphthalen-2-yl)amino]benzoate.
Chemical Property Profile of Butyl 4-((3-morpholino-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)benzoate
Property Insights of Butyl 4-((3-morpholino-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)benzoate
The XLogP value of 3.6784 indicates that Butyl 4-((3-morpholino-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.94 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyl 4-((3-morpholino-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)benzoate. Following Lipinski's Rule of Five, Butyl 4-((3-morpholino-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)benzoate 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 Butyl 4-((3-morpholino-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)benzoate?
The CAS number of Butyl 4-((3-morpholino-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)benzoate is 371950-68-4.
What is the molecular formula of Butyl 4-((3-morpholino-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)benzoate?
The molecular formula of Butyl 4-((3-morpholino-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)benzoate is C25H26N2O5.
What is the molecular weight of Butyl 4-((3-morpholino-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)benzoate?
The molecular weight of Butyl 4-((3-morpholino-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)benzoate is 434.18 g/mol.
Where can I buy Butyl 4-((3-morpholino-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)benzoate?
You can request a quote for Butyl 4-((3-morpholino-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 4-((3-morpholino-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 4-((3-morpholino-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.