(E)-methyl 4-((8-hydroxy-4-oxo-3-(pyrrolidin-1-yl)naphthalen-1(4H)-ylidene)amino)benzoate
TL;DR: (E)-methyl 4-((8-hydroxy-4-oxo-3-(pyrrolidin-1-yl)naphthalen-1(4H)-ylidene)amino)benzoate (CAS 799808-48-3) is a chemical compound with molecular formula C22H20N2O4 and molecular weight 376.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(8-hydroxy-4-oxo-3-pyrrolidin-1-ylnaphthalen-1-ylidene)amino]benzoate
Also Known As: (E)-methyl 4-((8-hydroxy-4-oxo-3-(pyrrolidin-1-yl)naphthalen-1(4H)-ylidene)amino)benzoate, methyl 4-[(4,8-dioxo-3-pyrrolidin-1-ylnaphthalen-1-yl)amino]benzoate, methyl 4-{[(1E)-8-hydroxy-4-oxo-3-(pyrrolidin-1-yl)naphthalen-1(4H)-ylidene]amino}benzoate
| Molecular Formula | C22H20N2O4 |
|---|---|
| Molecular Weight | 376.14 g/mol |
| LogP | 3.4756 |
| Topological Polar Surface Area | 79.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 376.1423 |
| Heavy Atoms | 28 |
| Complexity | 999.69684 |
Chemical Identifiers
| CAS Number | 799808-48-3 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)N=C2C=C(C(=O)C3=C2C(=CC=C3)O)N4CCCC4 |
Product Overview
(E)-methyl 4-((8-hydroxy-4-oxo-3-(pyrrolidin-1-yl)naphthalen-1(4H)-ylidene)amino)benzoate (CAS 799808-48-3), with molecular formula C22H20N2O4 and molecular weight 376.14 g/mol. IUPAC: methyl 4-[(8-hydroxy-4-oxo-3-pyrrolidin-1-ylnaphthalen-1-ylidene)amino]benzoate.
Chemical Property Profile of (E)-methyl 4-((8-hydroxy-4-oxo-3-(pyrrolidin-1-yl)naphthalen-1(4H)-ylidene)amino)benzoate
Property Insights of (E)-methyl 4-((8-hydroxy-4-oxo-3-(pyrrolidin-1-yl)naphthalen-1(4H)-ylidene)amino)benzoate
The XLogP value of 3.4756 indicates that (E)-methyl 4-((8-hydroxy-4-oxo-3-(pyrrolidin-1-yl)naphthalen-1(4H)-ylidene)amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.2 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-methyl 4-((8-hydroxy-4-oxo-3-(pyrrolidin-1-yl)naphthalen-1(4H)-ylidene)amino)benzoate. Following Lipinski's Rule of Five, (E)-methyl 4-((8-hydroxy-4-oxo-3-(pyrrolidin-1-yl)naphthalen-1(4H)-ylidene)amino)benzoate 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 (E)-methyl 4-((8-hydroxy-4-oxo-3-(pyrrolidin-1-yl)naphthalen-1(4H)-ylidene)amino)benzoate?
The CAS number of (E)-methyl 4-((8-hydroxy-4-oxo-3-(pyrrolidin-1-yl)naphthalen-1(4H)-ylidene)amino)benzoate is 799808-48-3.
What is the molecular formula of (E)-methyl 4-((8-hydroxy-4-oxo-3-(pyrrolidin-1-yl)naphthalen-1(4H)-ylidene)amino)benzoate?
The molecular formula of (E)-methyl 4-((8-hydroxy-4-oxo-3-(pyrrolidin-1-yl)naphthalen-1(4H)-ylidene)amino)benzoate is C22H20N2O4.
What is the molecular weight of (E)-methyl 4-((8-hydroxy-4-oxo-3-(pyrrolidin-1-yl)naphthalen-1(4H)-ylidene)amino)benzoate?
The molecular weight of (E)-methyl 4-((8-hydroxy-4-oxo-3-(pyrrolidin-1-yl)naphthalen-1(4H)-ylidene)amino)benzoate is 376.14 g/mol.
Where can I buy (E)-methyl 4-((8-hydroxy-4-oxo-3-(pyrrolidin-1-yl)naphthalen-1(4H)-ylidene)amino)benzoate?
You can request a quote for (E)-methyl 4-((8-hydroxy-4-oxo-3-(pyrrolidin-1-yl)naphthalen-1(4H)-ylidene)amino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-methyl 4-((8-hydroxy-4-oxo-3-(pyrrolidin-1-yl)naphthalen-1(4H)-ylidene)amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-methyl 4-((8-hydroxy-4-oxo-3-(pyrrolidin-1-yl)naphthalen-1(4H)-ylidene)amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.