4-(4-Chloro-2-methylquinolin-3-yl)butan-2-one
TL;DR: 4-(4-Chloro-2-methylquinolin-3-yl)butan-2-one (CAS 61640-16-2) is a chemical compound with molecular formula C14H14ClNO and molecular weight 247.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chloro-2-methylquinolin-3-yl)butan-2-one
Also Known As: 4-(4-chloro-2-methylquinolin-3-yl)butan-2-one, CHEMBRDG-BB5689234, CHEMBRDG-BB 5689234, 2-Methyl-3-nitromethyl-1,3-butadien, BAS 00733447
| Molecular Formula | C14H14ClNO |
|---|---|
| Molecular Weight | 247.08 g/mol |
| LogP | 3.71822 |
| Topological Polar Surface Area | 29.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.07639 |
| Heavy Atoms | 17 |
| Complexity | 577.6891 |
Chemical Identifiers
| CAS Number | 61640-16-2 |
|---|---|
| SMILES | CC1=NC2=CC=CC=C2C(=C1CCC(=O)C)Cl |
Product Overview
4-(4-Chloro-2-methylquinolin-3-yl)butan-2-one (CAS 61640-16-2), with molecular formula C14H14ClNO and molecular weight 247.08 g/mol. IUPAC: 4-(4-chloro-2-methylquinolin-3-yl)butan-2-one.
Chemical Property Profile of 4-(4-Chloro-2-methylquinolin-3-yl)butan-2-one
Property Insights of 4-(4-Chloro-2-methylquinolin-3-yl)butan-2-one
The XLogP value of 3.71822 indicates that 4-(4-Chloro-2-methylquinolin-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 29.96 Ų, 4-(4-Chloro-2-methylquinolin-3-yl)butan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Chloro-2-methylquinolin-3-yl)butan-2-one has 0 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-Chloro-2-methylquinolin-3-yl)butan-2-one?
The CAS number of 4-(4-Chloro-2-methylquinolin-3-yl)butan-2-one is 61640-16-2.
What is the molecular formula of 4-(4-Chloro-2-methylquinolin-3-yl)butan-2-one?
The molecular formula of 4-(4-Chloro-2-methylquinolin-3-yl)butan-2-one is C14H14ClNO.
What is the molecular weight of 4-(4-Chloro-2-methylquinolin-3-yl)butan-2-one?
The molecular weight of 4-(4-Chloro-2-methylquinolin-3-yl)butan-2-one is 247.08 g/mol.
Where can I buy 4-(4-Chloro-2-methylquinolin-3-yl)butan-2-one?
You can request a quote for 4-(4-Chloro-2-methylquinolin-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-Chloro-2-methylquinolin-3-yl)butan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Chloro-2-methylquinolin-3-yl)butan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.