BAS 00721939
TL;DR: BAS 00721939 (CAS 116200-90-9) is a chemical compound with molecular formula C15H13NOS3 and molecular weight 319.01593 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)prop-2-en-1-one
Also Known As: BAS 00721939, 1-(4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)prop-2-en-1-one, 1-(4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)prop-2-en-1-one, 1-(4,4-dimethyl-1-thioxo-1H-[1,2]dithiolo[3,4-c]quinolin-5(4H)-yl)prop-2-en-1-one, 5-acryloyl-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione
Technical Specifications
| Molecular Formula | C15H13NOS3 |
| Molecular Weight | 319.01593 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 103.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 319.01593 Da |
| Heavy Atoms | 20 |
| Complexity | 523.0 |
| SMILES | CC1(C2=C(C3=CC=CC=C3N1C(=O)C=C)C(=S)SS2)C |
| InChIKey | RNPQGRIFBIMOFC-UHFFFAOYSA-N |
Chemical Property Profile of BAS 00721939
Property Insights of BAS 00721939
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00721939. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00721939. Following Lipinski's Rule of Five, BAS 00721939 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 BAS 00721939?
The CAS number of BAS 00721939 is 116200-90-9.
What is the molecular formula of BAS 00721939?
The molecular formula of BAS 00721939 is C15H13NOS3.
What is the molecular weight of BAS 00721939?
The molecular weight of BAS 00721939 is 319.01593 g/mol.
Where can I buy BAS 00721939?
You can request a quote for BAS 00721939 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for BAS 00721939?
Yes, CoreyChem provides custom synthesis services for BAS 00721939 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.