4-(4-Methyl-2-thioxo-1,2-dihydroquinolin-3-yl)butan-2-one
TL;DR: 4-(4-Methyl-2-thioxo-1,2-dihydroquinolin-3-yl)butan-2-one (CAS 88322-65-0) is a chemical compound with molecular formula C14H15NOS and molecular weight 245.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methyl-2-sulfanylidene-1H-quinolin-3-yl)butan-2-one
Also Known As: BIM-0028247.P001, 4-(4-methyl-2-thioxo-1,2-dihydroquinolin-3-yl)butan-2-one, 4-(4-methyl-2-sulfanylidene-1H-quinolin-3-yl)butan-2-one, 2-Butanone, 4-(1,2-dihydro-4-methyl-2-thioxo-3-quinolinyl)-, 4-(4-methyl-2-thioxo-1,2-dihydro-3-quinolinyl)-2-butanone
| Molecular Formula | C14H15NOS |
|---|---|
| Molecular Weight | 245.09 g/mol |
| LogP | 3.72741 |
| Topological Polar Surface Area | 32.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 245.08743 |
| Heavy Atoms | 17 |
| Complexity | 627.6451 |
Chemical Identifiers
| CAS Number | 88322-65-0 |
|---|---|
| SMILES | CC1=C(C(=S)NC2=CC=CC=C12)CCC(=O)C |
Product Overview
4-(4-Methyl-2-thioxo-1,2-dihydroquinolin-3-yl)butan-2-one (CAS 88322-65-0), with molecular formula C14H15NOS and molecular weight 245.09 g/mol. IUPAC: 4-(4-methyl-2-sulfanylidene-1H-quinolin-3-yl)butan-2-one.
Chemical Property Profile of 4-(4-Methyl-2-thioxo-1,2-dihydroquinolin-3-yl)butan-2-one
Property Insights of 4-(4-Methyl-2-thioxo-1,2-dihydroquinolin-3-yl)butan-2-one
The XLogP value of 3.72741 indicates that 4-(4-Methyl-2-thioxo-1,2-dihydroquinolin-3-yl)butan-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.86 Ų, 4-(4-Methyl-2-thioxo-1,2-dihydroquinolin-3-yl)butan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Methyl-2-thioxo-1,2-dihydroquinolin-3-yl)butan-2-one 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 4-(4-Methyl-2-thioxo-1,2-dihydroquinolin-3-yl)butan-2-one?
The CAS number of 4-(4-Methyl-2-thioxo-1,2-dihydroquinolin-3-yl)butan-2-one is 88322-65-0.
What is the molecular formula of 4-(4-Methyl-2-thioxo-1,2-dihydroquinolin-3-yl)butan-2-one?
The molecular formula of 4-(4-Methyl-2-thioxo-1,2-dihydroquinolin-3-yl)butan-2-one is C14H15NOS.
What is the molecular weight of 4-(4-Methyl-2-thioxo-1,2-dihydroquinolin-3-yl)butan-2-one?
The molecular weight of 4-(4-Methyl-2-thioxo-1,2-dihydroquinolin-3-yl)butan-2-one is 245.09 g/mol.
Where can I buy 4-(4-Methyl-2-thioxo-1,2-dihydroquinolin-3-yl)butan-2-one?
You can request a quote for 4-(4-Methyl-2-thioxo-1,2-dihydroquinolin-3-yl)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-(4-Methyl-2-thioxo-1,2-dihydroquinolin-3-yl)butan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Methyl-2-thioxo-1,2-dihydroquinolin-3-yl)butan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.