3-Butyryl-4-(2-methylphenylamino)-8-methoxyquinoline
TL;DR: 3-Butyryl-4-(2-methylphenylamino)-8-methoxyquinoline (CAS 115607-61-9) is a chemical compound with molecular formula C21H22N2O2 and molecular weight 334.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[8-methoxy-4-(2-methylanilino)quinolin-3-yl]butan-1-one
Also Known As: SK&F-96067, 3-Butyryl-4-(2-methylphenylamino)-8-methoxyquinoline, SK&F 96067, HY-U00042, SKF96067?
| Molecular Formula | C21H22N2O2 |
|---|---|
| Molecular Weight | 334.17 g/mol |
| LogP | 5.27822 |
| Topological Polar Surface Area | 51.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 334.16812 |
| Heavy Atoms | 25 |
| Complexity | 918.91315 |
Chemical Identifiers
| CAS Number | 115607-61-9 |
|---|---|
| SMILES | CCCC(=O)C1=CN=C2C(=C1NC3=CC=CC=C3C)C=CC=C2OC |
Product Overview
3-Butyryl-4-(2-methylphenylamino)-8-methoxyquinoline (CAS 115607-61-9), with molecular formula C21H22N2O2 and molecular weight 334.17 g/mol. IUPAC: 1-[8-methoxy-4-(2-methylanilino)quinolin-3-yl]butan-1-one.
Chemical Property Profile of 3-Butyryl-4-(2-methylphenylamino)-8-methoxyquinoline
Property Insights of 3-Butyryl-4-(2-methylphenylamino)-8-methoxyquinoline
The XLogP value of 5.27822 indicates that 3-Butyryl-4-(2-methylphenylamino)-8-methoxyquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.22 Ų, 3-Butyryl-4-(2-methylphenylamino)-8-methoxyquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Butyryl-4-(2-methylphenylamino)-8-methoxyquinoline has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Butyryl-4-(2-methylphenylamino)-8-methoxyquinoline?
The CAS number of 3-Butyryl-4-(2-methylphenylamino)-8-methoxyquinoline is 115607-61-9.
What is the molecular formula of 3-Butyryl-4-(2-methylphenylamino)-8-methoxyquinoline?
The molecular formula of 3-Butyryl-4-(2-methylphenylamino)-8-methoxyquinoline is C21H22N2O2.
What is the molecular weight of 3-Butyryl-4-(2-methylphenylamino)-8-methoxyquinoline?
The molecular weight of 3-Butyryl-4-(2-methylphenylamino)-8-methoxyquinoline is 334.17 g/mol.
Where can I buy 3-Butyryl-4-(2-methylphenylamino)-8-methoxyquinoline?
You can request a quote for 3-Butyryl-4-(2-methylphenylamino)-8-methoxyquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Butyryl-4-(2-methylphenylamino)-8-methoxyquinoline?
Yes, KEHONG BIO provides custom synthesis services for 3-Butyryl-4-(2-methylphenylamino)-8-methoxyquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.