2-Methyl-3-(2-oxo-2-(thienyl)ethyl)naphthoquinone
TL;DR: 2-Methyl-3-(2-oxo-2-(thienyl)ethyl)naphthoquinone (CAS 130836-94-1) is a chemical compound with molecular formula C17H12O3S and molecular weight 296.05072 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methyl-3-(2-oxo-2-thiophen-2-ylethyl)naphthalene-1,4-dione
Also Known As: 2-methyl-3-[2-oxo-2-(2-thienyl)ethyl]naphthoquinone, 2-Methyl-3-(2-oxo-2-(thienyl)ethyl)naphthoquinone, 2-methyl-3-[2-oxo-2-(thiophen-2-yl)ethyl]-1,4-dihydronaphthalene-1,4-dione, 2-methyl-3-(2-oxo-2-thiophen-2-ylethyl)naphthalene-1,4-dione, 11K-929
Technical Specifications
| Molecular Formula | C17H12O3S |
| Molecular Weight | 296.05072 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 79.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 296.05072 Da |
| Heavy Atoms | 21 |
| Complexity | 520.0 |
| SMILES | CC1=C(C(=O)C2=CC=CC=C2C1=O)CC(=O)C3=CC=CS3 |
| InChIKey | GVELRLRVXCMVJD-UHFFFAOYSA-N |
Chemical Property Profile of 2-Methyl-3-(2-oxo-2-(thienyl)ethyl)naphthoquinone
Property Insights of 2-Methyl-3-(2-oxo-2-(thienyl)ethyl)naphthoquinone
The XLogP value of 3.1 indicates that 2-Methyl-3-(2-oxo-2-(thienyl)ethyl)naphthoquinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-3-(2-oxo-2-(thienyl)ethyl)naphthoquinone. Following Lipinski's Rule of Five, 2-Methyl-3-(2-oxo-2-(thienyl)ethyl)naphthoquinone has 0 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 2-Methyl-3-(2-oxo-2-(thienyl)ethyl)naphthoquinone?
The CAS number of 2-Methyl-3-(2-oxo-2-(thienyl)ethyl)naphthoquinone is 130836-94-1.
What is the molecular formula of 2-Methyl-3-(2-oxo-2-(thienyl)ethyl)naphthoquinone?
The molecular formula of 2-Methyl-3-(2-oxo-2-(thienyl)ethyl)naphthoquinone is C17H12O3S.
What is the molecular weight of 2-Methyl-3-(2-oxo-2-(thienyl)ethyl)naphthoquinone?
The molecular weight of 2-Methyl-3-(2-oxo-2-(thienyl)ethyl)naphthoquinone is 296.05072 g/mol.
Where can I buy 2-Methyl-3-(2-oxo-2-(thienyl)ethyl)naphthoquinone?
You can request a quote for 2-Methyl-3-(2-oxo-2-(thienyl)ethyl)naphthoquinone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Methyl-3-(2-oxo-2-(thienyl)ethyl)naphthoquinone?
Yes, CoreyChem provides custom synthesis services for 2-Methyl-3-(2-oxo-2-(thienyl)ethyl)naphthoquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.