4-(2,6-Dimethyl-4-sulfanyl-3-quinolyl)butan-2-one
TL;DR: 4-(2,6-Dimethyl-4-sulfanyl-3-quinolyl)butan-2-one (CAS 61640-18-4) is a chemical compound with molecular formula C15H17NOS and molecular weight 259.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,6-dimethyl-4-sulfanylidene-1H-quinolin-3-yl)butan-2-one
Also Known As: BAS 00733474, 2-Methyl-3-nitromethyl-1,3-butadien, 4-(2,6-dimethyl-4-sulfanyl-3-quinolyl)butan-2-one, 4-(2,6-Dimethyl-4-sulfanyl-3-quinolinyl)-2-butanone, 4-(2,6-dimethyl-4-sulfanylquinolin-3-yl)butan-2-one
| Molecular Formula | C15H17NOS |
|---|---|
| Molecular Weight | 259.10 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 61.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 259.1031 |
| Heavy Atoms | 18 |
| Complexity | 399.0 |
Chemical Identifiers
| CAS Number | 61640-18-4 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)NC(=C(C2=S)CCC(=O)C)C |
| InChIKey | WPIXBWCORYNYKV-UHFFFAOYSA-N |
Product Overview
4-(2,6-Dimethyl-4-sulfanyl-3-quinolyl)butan-2-one (CAS 61640-18-4), with molecular formula C15H17NOS and molecular weight 259.10 g/mol. IUPAC: 4-(2,6-dimethyl-4-sulfanylidene-1H-quinolin-3-yl)butan-2-one.
Chemical Property Profile of 4-(2,6-Dimethyl-4-sulfanyl-3-quinolyl)butan-2-one
Property Insights of 4-(2,6-Dimethyl-4-sulfanyl-3-quinolyl)butan-2-one
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2,6-Dimethyl-4-sulfanyl-3-quinolyl)butan-2-one. The TPSA of 61.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2,6-Dimethyl-4-sulfanyl-3-quinolyl)butan-2-one. Following Lipinski's Rule of Five, 4-(2,6-Dimethyl-4-sulfanyl-3-quinolyl)butan-2-one has 1 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 4-(2,6-Dimethyl-4-sulfanyl-3-quinolyl)butan-2-one?
The CAS number of 4-(2,6-Dimethyl-4-sulfanyl-3-quinolyl)butan-2-one is 61640-18-4.
What is the molecular formula of 4-(2,6-Dimethyl-4-sulfanyl-3-quinolyl)butan-2-one?
The molecular formula of 4-(2,6-Dimethyl-4-sulfanyl-3-quinolyl)butan-2-one is C15H17NOS.
What is the molecular weight of 4-(2,6-Dimethyl-4-sulfanyl-3-quinolyl)butan-2-one?
The molecular weight of 4-(2,6-Dimethyl-4-sulfanyl-3-quinolyl)butan-2-one is 259.10 g/mol.
Where can I buy 4-(2,6-Dimethyl-4-sulfanyl-3-quinolyl)butan-2-one?
You can request a quote for 4-(2,6-Dimethyl-4-sulfanyl-3-quinolyl)butan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2,6-Dimethyl-4-sulfanyl-3-quinolyl)butan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,6-Dimethyl-4-sulfanyl-3-quinolyl)butan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.