3-((tert-Butylimino)methyl)-7-methylquinolin-2(1H)-one
TL;DR: 3-((tert-Butylimino)methyl)-7-methylquinolin-2(1H)-one (CAS 578752-46-2) is a chemical compound with molecular formula C15H18N2O and molecular weight 242.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(tert-butyliminomethyl)-7-methyl-1H-quinolin-2-one
Also Known As: EINECS 261-001-1, 3-((tert-Butylimino)methyl)-7-methylquinolin-2(1H)-one, 2 -Quinolinone,3-[[ imino]methyl]-7-methyl-, 3-[(tert-butylamino)methylidene]-7-methylquinolin-2-one, (E)-3-((tert-butylimino)methyl)-7-methylquinolin-2-ol
| Molecular Formula | C15H18N2O |
|---|---|
| Molecular Weight | 242.14 g/mol |
| LogP | 3.05392 |
| Topological Polar Surface Area | 45.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 242.1419 |
| Heavy Atoms | 18 |
| Complexity | 660.22845 |
Chemical Identifiers
| CAS Number | 578752-46-2 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)C=C(C(=O)N2)C=NC(C)(C)C |
Product Overview
3-((tert-Butylimino)methyl)-7-methylquinolin-2(1H)-one (CAS 578752-46-2), with molecular formula C15H18N2O and molecular weight 242.14 g/mol. IUPAC: 3-(tert-butyliminomethyl)-7-methyl-1H-quinolin-2-one.
Chemical Property Profile of 3-((tert-Butylimino)methyl)-7-methylquinolin-2(1H)-one
Property Insights of 3-((tert-Butylimino)methyl)-7-methylquinolin-2(1H)-one
The XLogP value of 3.05392 indicates that 3-((tert-Butylimino)methyl)-7-methylquinolin-2(1H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.22 Ų, 3-((tert-Butylimino)methyl)-7-methylquinolin-2(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-((tert-Butylimino)methyl)-7-methylquinolin-2(1H)-one has 1 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 3-((tert-Butylimino)methyl)-7-methylquinolin-2(1H)-one?
The CAS number of 3-((tert-Butylimino)methyl)-7-methylquinolin-2(1H)-one is 578752-46-2.
What is the molecular formula of 3-((tert-Butylimino)methyl)-7-methylquinolin-2(1H)-one?
The molecular formula of 3-((tert-Butylimino)methyl)-7-methylquinolin-2(1H)-one is C15H18N2O.
What is the molecular weight of 3-((tert-Butylimino)methyl)-7-methylquinolin-2(1H)-one?
The molecular weight of 3-((tert-Butylimino)methyl)-7-methylquinolin-2(1H)-one is 242.14 g/mol.
Where can I buy 3-((tert-Butylimino)methyl)-7-methylquinolin-2(1H)-one?
You can request a quote for 3-((tert-Butylimino)methyl)-7-methylquinolin-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 3-((tert-Butylimino)methyl)-7-methylquinolin-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-((tert-Butylimino)methyl)-7-methylquinolin-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.