3-Benzyl-7-(diethylamino)-4-methyl-2H-1-benzopyran-2-one
TL;DR: 3-Benzyl-7-(diethylamino)-4-methyl-2H-1-benzopyran-2-one (CAS 7509-72-0) is a chemical compound with molecular formula C21H23NO2 and molecular weight 321.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-7-(diethylamino)-4-methylchromen-2-one
Also Known As: 3-benzyl-4-methyl-7 -diethylamino-coumarin, 3-Benzyl-7-(diethylamino)-4-methyl-2H-chromen-2-one, 3-benzyl-7-(diethylamino)-4-methylchromen-2-one, 3-Benzyl-7-(diethylamino)-4-methyl-2H-1-benzopyran-2-one, 2H-1-BENZOPYRAN-2-ONE,7-(DIETHYLAMINO)-4-METHYL-3-(PHENYLMETHYL)-
| Molecular Formula | C21H23NO2 |
|---|---|
| Molecular Weight | 321.17 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 321.17288 |
| Heavy Atoms | 24 |
| Complexity | 474.0 |
Chemical Identifiers
| CAS Number | 7509-72-0 |
|---|---|
| SMILES | CCN(CC)C1=CC2=C(C=C1)C(=C(C(=O)O2)CC3=CC=CC=C3)C |
| InChIKey | UJJKVFVKXALRSF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Benzyl-7-(diethylamino)-4-methyl-2H-1-benzopyran-2-one (CAS 7509-72-0), with molecular formula C21H23NO2 and molecular weight 321.17 g/mol. IUPAC: 3-benzyl-7-(diethylamino)-4-methylchromen-2-one.
Chemical Property Profile of 3-Benzyl-7-(diethylamino)-4-methyl-2H-1-benzopyran-2-one
Property Insights of 3-Benzyl-7-(diethylamino)-4-methyl-2H-1-benzopyran-2-one
The XLogP value of 4.6 indicates that 3-Benzyl-7-(diethylamino)-4-methyl-2H-1-benzopyran-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, 3-Benzyl-7-(diethylamino)-4-methyl-2H-1-benzopyran-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Benzyl-7-(diethylamino)-4-methyl-2H-1-benzopyran-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 3-Benzyl-7-(diethylamino)-4-methyl-2H-1-benzopyran-2-one?
The CAS number of 3-Benzyl-7-(diethylamino)-4-methyl-2H-1-benzopyran-2-one is 7509-72-0.
What is the molecular formula of 3-Benzyl-7-(diethylamino)-4-methyl-2H-1-benzopyran-2-one?
The molecular formula of 3-Benzyl-7-(diethylamino)-4-methyl-2H-1-benzopyran-2-one is C21H23NO2.
What is the molecular weight of 3-Benzyl-7-(diethylamino)-4-methyl-2H-1-benzopyran-2-one?
The molecular weight of 3-Benzyl-7-(diethylamino)-4-methyl-2H-1-benzopyran-2-one is 321.17 g/mol.
Where can I buy 3-Benzyl-7-(diethylamino)-4-methyl-2H-1-benzopyran-2-one?
You can request a quote for 3-Benzyl-7-(diethylamino)-4-methyl-2H-1-benzopyran-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzyl-7-(diethylamino)-4-methyl-2H-1-benzopyran-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzyl-7-(diethylamino)-4-methyl-2H-1-benzopyran-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.