3-Benzyl-1-butyl-3-chloroquinoline-2,4(1H,3H)-dione
TL;DR: 3-Benzyl-1-butyl-3-chloroquinoline-2,4(1H,3H)-dione (CAS 144603-30-5) is a chemical compound with molecular formula C20H20ClNO2 and molecular weight 341.11826 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S)-3-benzyl-1-butyl-3-chloroquinoline-2,4-dione
Also Known As: 3-Benzyl-1-butyl-3-chloroquinoline-2,4(1H,3H)-dione, (3S)-3-benzyl-1-butyl-3-chloroquinoline-2,4-dione, (3S)-3-Benzyl-1-butyl-3-chloroquinoline-2,4(1H,3H)-dione
Technical Specifications
| Molecular Formula | C20H20ClNO2 |
| Molecular Weight | 341.11826 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 37.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 341.11826 Da |
| Heavy Atoms | 24 |
| Complexity | 474.0 |
| SMILES | CCCCN1C2=CC=CC=C2C(=O)[C@](C1=O)(CC3=CC=CC=C3)Cl |
| InChIKey | MBKPWPHUWSIVGA-FQEVSTJZSA-N |
Chemical Property Profile of 3-Benzyl-1-butyl-3-chloroquinoline-2,4(1H,3H)-dione
Property Insights of 3-Benzyl-1-butyl-3-chloroquinoline-2,4(1H,3H)-dione
The XLogP value of 4.7 indicates that 3-Benzyl-1-butyl-3-chloroquinoline-2,4(1H,3H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.4 Ų, 3-Benzyl-1-butyl-3-chloroquinoline-2,4(1H,3H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Benzyl-1-butyl-3-chloroquinoline-2,4(1H,3H)-dione 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
What is the CAS number of 3-Benzyl-1-butyl-3-chloroquinoline-2,4(1H,3H)-dione?
The CAS number of 3-Benzyl-1-butyl-3-chloroquinoline-2,4(1H,3H)-dione is 144603-30-5.
What is the molecular formula of 3-Benzyl-1-butyl-3-chloroquinoline-2,4(1H,3H)-dione?
The molecular formula of 3-Benzyl-1-butyl-3-chloroquinoline-2,4(1H,3H)-dione is C20H20ClNO2.
What is the molecular weight of 3-Benzyl-1-butyl-3-chloroquinoline-2,4(1H,3H)-dione?
The molecular weight of 3-Benzyl-1-butyl-3-chloroquinoline-2,4(1H,3H)-dione is 341.11826 g/mol.
Where can I buy 3-Benzyl-1-butyl-3-chloroquinoline-2,4(1H,3H)-dione?
You can request a quote for 3-Benzyl-1-butyl-3-chloroquinoline-2,4(1H,3H)-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Benzyl-1-butyl-3-chloroquinoline-2,4(1H,3H)-dione?
Yes, CoreyChem provides custom synthesis services for 3-Benzyl-1-butyl-3-chloroquinoline-2,4(1H,3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.