7-(Diethylamino)-3-(hydroxymethyl)-4-methyl-2H-1-benzopyran-2-one
TL;DR: 7-(Diethylamino)-3-(hydroxymethyl)-4-methyl-2H-1-benzopyran-2-one (CAS 127321-51-1) is a chemical compound with molecular formula C15H19NO3 and molecular weight 261.1365 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-(diethylamino)-3-(hydroxymethyl)-4-methylchromen-2-one
Also Known As: 7-(diethylamino)-3-(hydroxymethyl)-4-methyl-2H-chromen-2-one, 7-Diethylamino-3-hydroxymethyl-4-methyl-chromen-2-one, 7-(diethylamino)-3-(hydroxymethyl)-4-methylchromen-2-one, 7-(diethylamino)-4-methyl-3-methylol-coumarin, 7-Diethylamino-3-hydroxymethyl-4-methylcoumarin
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C15H19NO3 |
| Molecular Weight | 261.1365 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 261.1365 Da |
| Heavy Atoms | 19 |
| Complexity | 374.0 |
| SMILES | CCN(CC)C1=CC2=C(C=C1)C(=C(C(=O)O2)CO)C |
| InChIKey | XGPAGXKXJDKNMG-UHFFFAOYSA-N |
Chemical Property Profile of 7-(Diethylamino)-3-(hydroxymethyl)-4-methyl-2H-1-benzopyran-2-one
Property Insights of 7-(Diethylamino)-3-(hydroxymethyl)-4-methyl-2H-1-benzopyran-2-one
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(Diethylamino)-3-(hydroxymethyl)-4-methyl-2H-1-benzopyran-2-one. With a topological polar surface area (TPSA) of 49.8 Ų, 7-(Diethylamino)-3-(hydroxymethyl)-4-methyl-2H-1-benzopyran-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-(Diethylamino)-3-(hydroxymethyl)-4-methyl-2H-1-benzopyran-2-one has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 7-(Diethylamino)-3-(hydroxymethyl)-4-methyl-2H-1-benzopyran-2-one?
The CAS number of 7-(Diethylamino)-3-(hydroxymethyl)-4-methyl-2H-1-benzopyran-2-one is 127321-51-1.
What is the molecular formula of 7-(Diethylamino)-3-(hydroxymethyl)-4-methyl-2H-1-benzopyran-2-one?
The molecular formula of 7-(Diethylamino)-3-(hydroxymethyl)-4-methyl-2H-1-benzopyran-2-one is C15H19NO3.
What is the molecular weight of 7-(Diethylamino)-3-(hydroxymethyl)-4-methyl-2H-1-benzopyran-2-one?
The molecular weight of 7-(Diethylamino)-3-(hydroxymethyl)-4-methyl-2H-1-benzopyran-2-one is 261.1365 g/mol.
Where can I buy 7-(Diethylamino)-3-(hydroxymethyl)-4-methyl-2H-1-benzopyran-2-one?
You can request a quote for 7-(Diethylamino)-3-(hydroxymethyl)-4-methyl-2H-1-benzopyran-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 7-(Diethylamino)-3-(hydroxymethyl)-4-methyl-2H-1-benzopyran-2-one?
Yes, CoreyChem provides custom synthesis services for 7-(Diethylamino)-3-(hydroxymethyl)-4-methyl-2H-1-benzopyran-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.