1,4,4,6,7-Pentamethyl-3,4-dihydroquinolin-2(1h)-one
TL;DR: 1,4,4,6,7-Pentamethyl-3,4-dihydroquinolin-2(1h)-one (CAS 106791-94-0) is a chemical compound with molecular formula C14H19NO and molecular weight 217.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4,4,6,7-pentamethyl-3H-quinolin-2-one
Also Known As: KST-1A9772, 1,4,4,6,7-pentamethyl-3,4-dihydroquinolin-2(1h)-one, 1,4,4,6,7-pentamethyl-3H-quinolin-2-one
| Molecular Formula | C14H19NO |
|---|---|
| Molecular Weight | 217.15 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 217.14667 |
| Heavy Atoms | 16 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 106791-94-0 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)N(C(=O)CC2(C)C)C |
| InChIKey | XKZAISCYCNTUCC-UHFFFAOYSA-N |
Product Overview
1,4,4,6,7-Pentamethyl-3,4-dihydroquinolin-2(1h)-one (CAS 106791-94-0), with molecular formula C14H19NO and molecular weight 217.15 g/mol. IUPAC: 1,4,4,6,7-pentamethyl-3H-quinolin-2-one.
Chemical Property Profile of 1,4,4,6,7-Pentamethyl-3,4-dihydroquinolin-2(1h)-one
Property Insights of 1,4,4,6,7-Pentamethyl-3,4-dihydroquinolin-2(1h)-one
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4,4,6,7-Pentamethyl-3,4-dihydroquinolin-2(1h)-one. With a topological polar surface area (TPSA) of 20.3 Ų, 1,4,4,6,7-Pentamethyl-3,4-dihydroquinolin-2(1h)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4,4,6,7-Pentamethyl-3,4-dihydroquinolin-2(1h)-one has 0 hydrogen bond donor(s) and 1 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 1,4,4,6,7-Pentamethyl-3,4-dihydroquinolin-2(1h)-one?
The CAS number of 1,4,4,6,7-Pentamethyl-3,4-dihydroquinolin-2(1h)-one is 106791-94-0.
What is the molecular formula of 1,4,4,6,7-Pentamethyl-3,4-dihydroquinolin-2(1h)-one?
The molecular formula of 1,4,4,6,7-Pentamethyl-3,4-dihydroquinolin-2(1h)-one is C14H19NO.
What is the molecular weight of 1,4,4,6,7-Pentamethyl-3,4-dihydroquinolin-2(1h)-one?
The molecular weight of 1,4,4,6,7-Pentamethyl-3,4-dihydroquinolin-2(1h)-one is 217.15 g/mol.
Where can I buy 1,4,4,6,7-Pentamethyl-3,4-dihydroquinolin-2(1h)-one?
You can request a quote for 1,4,4,6,7-Pentamethyl-3,4-dihydroquinolin-2(1h)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4,4,6,7-Pentamethyl-3,4-dihydroquinolin-2(1h)-one?
Yes, KEHONG BIO provides custom synthesis services for 1,4,4,6,7-Pentamethyl-3,4-dihydroquinolin-2(1h)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.