2-Butanone, 4-(6-bromo-4-mercapto-2-methyl-3-quinolinyl)-
TL;DR: 2-Butanone, 4-(6-bromo-4-mercapto-2-methyl-3-quinolinyl)- (CAS 61640-19-5) is a chemical compound with molecular formula C14H14BrNOS and molecular weight 323.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(6-bromo-2-methyl-4-sulfanylidene-1H-quinolin-3-yl)butan-2-one
Also Known As: BAS 00733475, 2-Butanone, 4-(6-bromo-4-mercapto-2-methyl-3-quinolinyl)-, BIM-0028036.P001, 4-(6-bromo-2-methyl-4-sulfanylidene-1H-quinolin-3-yl)butan-2-one, 4-(6-bromo-2-methyl-4-sulfanyl-3-quinolyl)butan-2-one
| Molecular Formula | C14H14BrNOS |
|---|---|
| Molecular Weight | 323.00 g/mol |
| LogP | 4.48991 |
| Topological Polar Surface Area | 32.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 322.99796 |
| Heavy Atoms | 18 |
| Complexity | 675.2837 |
Chemical Identifiers
| CAS Number | 61640-19-5 |
|---|---|
| SMILES | CC1=C(C(=S)C2=C(N1)C=CC(=C2)Br)CCC(=O)C |
Product Overview
2-Butanone, 4-(6-bromo-4-mercapto-2-methyl-3-quinolinyl)- (CAS 61640-19-5), with molecular formula C14H14BrNOS and molecular weight 323.00 g/mol. IUPAC: 4-(6-bromo-2-methyl-4-sulfanylidene-1H-quinolin-3-yl)butan-2-one.
Chemical Property Profile of 2-Butanone, 4-(6-bromo-4-mercapto-2-methyl-3-quinolinyl)-
Property Insights of 2-Butanone, 4-(6-bromo-4-mercapto-2-methyl-3-quinolinyl)-
The XLogP value of 4.48991 indicates that 2-Butanone, 4-(6-bromo-4-mercapto-2-methyl-3-quinolinyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.86 Ų, 2-Butanone, 4-(6-bromo-4-mercapto-2-methyl-3-quinolinyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butanone, 4-(6-bromo-4-mercapto-2-methyl-3-quinolinyl)- has 1 hydrogen bond donor(s) and 2 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 2-Butanone, 4-(6-bromo-4-mercapto-2-methyl-3-quinolinyl)-?
The CAS number of 2-Butanone, 4-(6-bromo-4-mercapto-2-methyl-3-quinolinyl)- is 61640-19-5.
What is the molecular formula of 2-Butanone, 4-(6-bromo-4-mercapto-2-methyl-3-quinolinyl)-?
The molecular formula of 2-Butanone, 4-(6-bromo-4-mercapto-2-methyl-3-quinolinyl)- is C14H14BrNOS.
What is the molecular weight of 2-Butanone, 4-(6-bromo-4-mercapto-2-methyl-3-quinolinyl)-?
The molecular weight of 2-Butanone, 4-(6-bromo-4-mercapto-2-methyl-3-quinolinyl)- is 323.00 g/mol.
Where can I buy 2-Butanone, 4-(6-bromo-4-mercapto-2-methyl-3-quinolinyl)-?
You can request a quote for 2-Butanone, 4-(6-bromo-4-mercapto-2-methyl-3-quinolinyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butanone, 4-(6-bromo-4-mercapto-2-methyl-3-quinolinyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Butanone, 4-(6-bromo-4-mercapto-2-methyl-3-quinolinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.