Methyl 3-((3-morpholino-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)benzoate
TL;DR: Methyl 3-((3-morpholino-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)benzoate (CAS 150127-58-5) is a chemical compound with molecular formula C22H20N2O5 and molecular weight 392.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(3-morpholin-4-yl-1,4-dioxonaphthalen-2-yl)amino]benzoate
Also Known As: AB00090180-01, methyl 3-((3-morpholino-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)benzoate, methyl 3-[(3-morpholin-4-yl-1,4-dioxonaphthalen-2-yl)amino]benzoate, methyl 3-{[3-(morpholin-4-yl)-1,4-dioxo-1,4-dihydronaphthalen-2-yl]amino}benzoate
| Molecular Formula | C22H20N2O5 |
|---|---|
| Molecular Weight | 392.14 g/mol |
| LogP | 2.5081 |
| Topological Polar Surface Area | 84.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 392.1372 |
| Heavy Atoms | 29 |
| Complexity | 1021.3676 |
Chemical Identifiers
| CAS Number | 150127-58-5 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC=C1)NC2=C(C(=O)C3=CC=CC=C3C2=O)N4CCOCC4 |
Product Overview
Methyl 3-((3-morpholino-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)benzoate (CAS 150127-58-5), with molecular formula C22H20N2O5 and molecular weight 392.14 g/mol. IUPAC: methyl 3-[(3-morpholin-4-yl-1,4-dioxonaphthalen-2-yl)amino]benzoate.
Chemical Property Profile of Methyl 3-((3-morpholino-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)benzoate
Property Insights of Methyl 3-((3-morpholino-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)benzoate
The XLogP value of 2.5081 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-((3-morpholino-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)benzoate. The TPSA of 84.94 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-((3-morpholino-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)benzoate. Following Lipinski's Rule of Five, Methyl 3-((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 Methyl 3-((3-morpholino-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)benzoate?
The CAS number of Methyl 3-((3-morpholino-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)benzoate is 150127-58-5.
What is the molecular formula of Methyl 3-((3-morpholino-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)benzoate?
The molecular formula of Methyl 3-((3-morpholino-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)benzoate is C22H20N2O5.
What is the molecular weight of Methyl 3-((3-morpholino-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)benzoate?
The molecular weight of Methyl 3-((3-morpholino-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)benzoate is 392.14 g/mol.
Where can I buy Methyl 3-((3-morpholino-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)benzoate?
You can request a quote for Methyl 3-((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 Methyl 3-((3-morpholino-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-((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.