4-Quinolin-3-ylbutan-2-one
TL;DR: 4-Quinolin-3-ylbutan-2-one (CAS 497867-84-2) is a chemical compound with molecular formula C13H13NO and molecular weight 199.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-quinolin-3-ylbutan-2-one
Also Known As: 4-(Quinolin-3-yl)butan-2-one, 4-quinolin-3-ylbutan-2-one, 3-(3-oxobutyl)quinoline, 4-(3-quinolinyl)-2-butanone, 4-(3-Quinolyl)-2-butanone
| Molecular Formula | C13H13NO |
|---|---|
| Molecular Weight | 199.10 g/mol |
| LogP | 2.7564 |
| Topological Polar Surface Area | 29.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 199.09972 |
| Heavy Atoms | 15 |
| Complexity | 490.61487 |
Chemical Identifiers
| CAS Number | 497867-84-2 |
|---|---|
| SMILES | CC(=O)CCC1=CC2=CC=CC=C2N=C1 |
Product Overview
4-Quinolin-3-ylbutan-2-one (CAS 497867-84-2), with molecular formula C13H13NO and molecular weight 199.10 g/mol. IUPAC: 4-quinolin-3-ylbutan-2-one.
Chemical Property Profile of 4-Quinolin-3-ylbutan-2-one
Property Insights of 4-Quinolin-3-ylbutan-2-one
The XLogP value of 2.7564 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Quinolin-3-ylbutan-2-one. With a topological polar surface area (TPSA) of 29.96 Ų, 4-Quinolin-3-ylbutan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Quinolin-3-ylbutan-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-Quinolin-3-ylbutan-2-one?
The CAS number of 4-Quinolin-3-ylbutan-2-one is 497867-84-2.
What is the molecular formula of 4-Quinolin-3-ylbutan-2-one?
The molecular formula of 4-Quinolin-3-ylbutan-2-one is C13H13NO.
What is the molecular weight of 4-Quinolin-3-ylbutan-2-one?
The molecular weight of 4-Quinolin-3-ylbutan-2-one is 199.10 g/mol.
Where can I buy 4-Quinolin-3-ylbutan-2-one?
You can request a quote for 4-Quinolin-3-ylbutan-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-Quinolin-3-ylbutan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Quinolin-3-ylbutan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.