![3-[2-(diethylamino)ethyl]-7-hydroxy-4-methyl-2H-1-benzopyran-2-one hydrochloride structure](/static/products/1577/15776-59-7.webp)
3-[2-(diethylamino)ethyl]-7-hydroxy-4-methyl-2H-1-benzopyran-2-one hydrochloride
TL;DR: 3-[2-(diethylamino)ethyl]-7-hydroxy-4-methyl-2H-1-benzopyran-2-one hydrochloride (CAS 15776-59-7) is a chemical compound with molecular formula C16H22ClNO3 and molecular weight 311.1288 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[2-(diethylamino)ethyl]-7-hydroxy-4-methylchromen-2-one;hydrochloride
Also Known As: 3-Iodo-1-propene, 3-[2-(Diethylamino)ethyl]-7-hydroxy-4-methylcoumarin hydrochloride, EINECS 239-872-4, 3-(2-(Diethylamino)ethyl)-7-hydroxy-4-methyl-2H-chromen-2-one hydrochloride, 3-(2-(Diethylamino)ethyl)-7-hydroxy-4-methyl-2H-1-benzopyran-2-one hydrochloride
Technical Specifications
| Molecular Formula | C16H22ClNO3 |
| Molecular Weight | 311.1288 g/mol |
| XLogP | 3.11312 |
| Topological Polar Surface Area (TPSA) | 49.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 311.1288 Da |
| Heavy Atoms | 21 |
| Complexity | 387.0 |
| SMILES | CCN(CC)CCC1=C(C2=C(C=C(C=C2)O)OC1=O)C.Cl |
| InChIKey | RLJNKMCFVQMDFR-UHFFFAOYSA-N |
Chemical Property Profile of 3-[2-(diethylamino)ethyl]-7-hydroxy-4-methyl-2H-1-benzopyran-2-one hydrochloride
Property Insights of 3-[2-(diethylamino)ethyl]-7-hydroxy-4-methyl-2H-1-benzopyran-2-one hydrochloride
The XLogP value of 3.11312 indicates that 3-[2-(diethylamino)ethyl]-7-hydroxy-4-methyl-2H-1-benzopyran-2-one hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.8 Ų, 3-[2-(diethylamino)ethyl]-7-hydroxy-4-methyl-2H-1-benzopyran-2-one hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[2-(diethylamino)ethyl]-7-hydroxy-4-methyl-2H-1-benzopyran-2-one hydrochloride has 2 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 3-[2-(diethylamino)ethyl]-7-hydroxy-4-methyl-2H-1-benzopyran-2-one hydrochloride?
The CAS number of 3-[2-(diethylamino)ethyl]-7-hydroxy-4-methyl-2H-1-benzopyran-2-one hydrochloride is 15776-59-7.
What is the molecular formula of 3-[2-(diethylamino)ethyl]-7-hydroxy-4-methyl-2H-1-benzopyran-2-one hydrochloride?
The molecular formula of 3-[2-(diethylamino)ethyl]-7-hydroxy-4-methyl-2H-1-benzopyran-2-one hydrochloride is C16H22ClNO3.
What is the molecular weight of 3-[2-(diethylamino)ethyl]-7-hydroxy-4-methyl-2H-1-benzopyran-2-one hydrochloride?
The molecular weight of 3-[2-(diethylamino)ethyl]-7-hydroxy-4-methyl-2H-1-benzopyran-2-one hydrochloride is 311.1288 g/mol.
Where can I buy 3-[2-(diethylamino)ethyl]-7-hydroxy-4-methyl-2H-1-benzopyran-2-one hydrochloride?
You can request a quote for 3-[2-(diethylamino)ethyl]-7-hydroxy-4-methyl-2H-1-benzopyran-2-one hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-[2-(diethylamino)ethyl]-7-hydroxy-4-methyl-2H-1-benzopyran-2-one hydrochloride?
Yes, CoreyChem provides custom synthesis services for 3-[2-(diethylamino)ethyl]-7-hydroxy-4-methyl-2H-1-benzopyran-2-one hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.