4-((benzyl(methyl)amino)methyl)-6-ethyl-2H-chromen-2-one
TL;DR: 4-((benzyl(methyl)amino)methyl)-6-ethyl-2H-chromen-2-one (CAS 847184-63-8) is a chemical compound with molecular formula C20H21NO2 and molecular weight 307.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[benzyl(methyl)amino]methyl]-6-ethylchromen-2-one
Also Known As: 4-((benzyl(methyl)amino)methyl)-6-ethyl-2H-chromen-2-one, 4-{[benzyl(methyl)amino]methyl}-6-ethyl-2H-chromen-2-one, VU0210610-4, 4-[[benzyl(methyl)amino]methyl]-6-ethylchromen-2-one, 6-ethyl-4-{[methylbenzylamino]methyl}chromen-2-one
| Molecular Formula | C20H21NO2 |
|---|---|
| Molecular Weight | 307.16 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 307.15723 |
| Heavy Atoms | 23 |
| Complexity | 439.0 |
Chemical Identifiers
| CAS Number | 847184-63-8 |
|---|---|
| SMILES | CCC1=CC2=C(C=C1)OC(=O)C=C2CN(C)CC3=CC=CC=C3 |
| InChIKey | GQTJSAKJPXYNHI-UHFFFAOYSA-N |
Product Overview
4-((benzyl(methyl)amino)methyl)-6-ethyl-2H-chromen-2-one (CAS 847184-63-8), with molecular formula C20H21NO2 and molecular weight 307.16 g/mol. IUPAC: 4-[[benzyl(methyl)amino]methyl]-6-ethylchromen-2-one.
Chemical Property Profile of 4-((benzyl(methyl)amino)methyl)-6-ethyl-2H-chromen-2-one
Property Insights of 4-((benzyl(methyl)amino)methyl)-6-ethyl-2H-chromen-2-one
The XLogP value of 3.6 indicates that 4-((benzyl(methyl)amino)methyl)-6-ethyl-2H-chromen-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 4-((benzyl(methyl)amino)methyl)-6-ethyl-2H-chromen-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-((benzyl(methyl)amino)methyl)-6-ethyl-2H-chromen-2-one has 0 hydrogen bond donor(s) and 3 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 4-((benzyl(methyl)amino)methyl)-6-ethyl-2H-chromen-2-one?
The CAS number of 4-((benzyl(methyl)amino)methyl)-6-ethyl-2H-chromen-2-one is 847184-63-8.
What is the molecular formula of 4-((benzyl(methyl)amino)methyl)-6-ethyl-2H-chromen-2-one?
The molecular formula of 4-((benzyl(methyl)amino)methyl)-6-ethyl-2H-chromen-2-one is C20H21NO2.
What is the molecular weight of 4-((benzyl(methyl)amino)methyl)-6-ethyl-2H-chromen-2-one?
The molecular weight of 4-((benzyl(methyl)amino)methyl)-6-ethyl-2H-chromen-2-one is 307.16 g/mol.
Where can I buy 4-((benzyl(methyl)amino)methyl)-6-ethyl-2H-chromen-2-one?
You can request a quote for 4-((benzyl(methyl)amino)methyl)-6-ethyl-2H-chromen-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((benzyl(methyl)amino)methyl)-6-ethyl-2H-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-((benzyl(methyl)amino)methyl)-6-ethyl-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.