3-(Acetylamino)-1-methylquinolinium
TL;DR: 3-(Acetylamino)-1-methylquinolinium (CAS 53457-29-7) is a chemical compound with molecular formula C12H13N2O+ and molecular weight 201.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-methylquinolin-1-ium-3-yl)acetamide
Also Known As: 3-(acetylamino)-1-methylquinolinium, N-(1-methylquinolin-1-ium-3-yl)acetamide, Quinolinium, 3-(acetylamino)-1-methyl-, Quinolinium,3-(acetylamino)-1-methyl-, iodide (1:1)
| Molecular Formula | C12H13N2O+ |
|---|---|
| Molecular Weight | 201.10 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 33.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 201.10278 |
| Heavy Atoms | 15 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 53457-29-7 |
|---|---|
| SMILES | CC(=O)NC1=CC2=CC=CC=C2[N+](=C1)C |
| InChIKey | SGGYLRGFXUGCKX-UHFFFAOYSA-O |
Product Overview
3-(Acetylamino)-1-methylquinolinium (CAS 53457-29-7), with molecular formula C12H13N2O+ and molecular weight 201.10 g/mol. IUPAC: N-(1-methylquinolin-1-ium-3-yl)acetamide.
Chemical Property Profile of 3-(Acetylamino)-1-methylquinolinium
Property Insights of 3-(Acetylamino)-1-methylquinolinium
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Acetylamino)-1-methylquinolinium. With a topological polar surface area (TPSA) of 33.0 Ų, 3-(Acetylamino)-1-methylquinolinium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Acetylamino)-1-methylquinolinium has 1 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 3-(Acetylamino)-1-methylquinolinium?
The CAS number of 3-(Acetylamino)-1-methylquinolinium is 53457-29-7.
What is the molecular formula of 3-(Acetylamino)-1-methylquinolinium?
The molecular formula of 3-(Acetylamino)-1-methylquinolinium is C12H13N2O+.
What is the molecular weight of 3-(Acetylamino)-1-methylquinolinium?
The molecular weight of 3-(Acetylamino)-1-methylquinolinium is 201.10 g/mol.
Where can I buy 3-(Acetylamino)-1-methylquinolinium?
You can request a quote for 3-(Acetylamino)-1-methylquinolinium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Acetylamino)-1-methylquinolinium?
Yes, KEHONG BIO provides custom synthesis services for 3-(Acetylamino)-1-methylquinolinium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.