4(3H)-Quinolinone, 3,3-dimethyl-
TL;DR: 4(3H)-Quinolinone, 3,3-dimethyl- (CAS 72435-87-1) is a chemical compound with molecular formula C11H11NO and molecular weight 173.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethylquinolin-4-one
Also Known As: 3,3-dimethylquinolin-4-one, 3,3-Dimethyl-4(3H)-quinolinone, 4(3H)-Quinolinone, 3,3-dimethyl-, 3,3-Dimethylquinolin-4(3H)-one
| Molecular Formula | C11H11NO |
|---|---|
| Molecular Weight | 173.08 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 29.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 173.08406 |
| Heavy Atoms | 13 |
| Complexity | 255.0 |
Chemical Identifiers
| CAS Number | 72435-87-1 |
|---|---|
| SMILES | CC1(C=NC2=CC=CC=C2C1=O)C |
| InChIKey | WPUAKJJIBAOHIL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4(3H)-Quinolinone, 3,3-dimethyl- (CAS 72435-87-1), with molecular formula C11H11NO and molecular weight 173.08 g/mol. IUPAC: 3,3-dimethylquinolin-4-one.
Chemical Property Profile of 4(3H)-Quinolinone, 3,3-dimethyl-
Property Insights of 4(3H)-Quinolinone, 3,3-dimethyl-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4(3H)-Quinolinone, 3,3-dimethyl-. With a topological polar surface area (TPSA) of 29.4 Ų, 4(3H)-Quinolinone, 3,3-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4(3H)-Quinolinone, 3,3-dimethyl- 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(3H)-Quinolinone, 3,3-dimethyl-?
The CAS number of 4(3H)-Quinolinone, 3,3-dimethyl- is 72435-87-1.
What is the molecular formula of 4(3H)-Quinolinone, 3,3-dimethyl-?
The molecular formula of 4(3H)-Quinolinone, 3,3-dimethyl- is C11H11NO.
What is the molecular weight of 4(3H)-Quinolinone, 3,3-dimethyl-?
The molecular weight of 4(3H)-Quinolinone, 3,3-dimethyl- is 173.08 g/mol.
Where can I buy 4(3H)-Quinolinone, 3,3-dimethyl-?
You can request a quote for 4(3H)-Quinolinone, 3,3-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4(3H)-Quinolinone, 3,3-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 4(3H)-Quinolinone, 3,3-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.