3-(Diethylcarbamoyl)-1-methylpyridinium
TL;DR: 3-(Diethylcarbamoyl)-1-methylpyridinium (CAS 20168-80-3) is a chemical compound with molecular formula C11H17N2O+ and molecular weight 193.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethyl-1-methylpyridin-1-ium-3-carboxamide
Also Known As: 3-(diethylcarbamoyl)-1-methylpyridinium, 3-[(diethylamino)carbonyl]-1-methylpyridinium, N,N-diethyl-1-methylpyridin-1-ium-3-carboxamide, 1-Methyl-3-[(diethylamino)carbonyl]pyridinium, AO-365/40543005
| Molecular Formula | C11H17N2O+ |
|---|---|
| Molecular Weight | 193.13 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 24.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 193.1341 |
| Heavy Atoms | 14 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 20168-80-3 |
|---|---|
| SMILES | CCN(CC)C(=O)C1=C[N+](=CC=C1)C |
| InChIKey | BEPUNMMUQLADTP-UHFFFAOYSA-N |
Product Overview
3-(Diethylcarbamoyl)-1-methylpyridinium (CAS 20168-80-3), with molecular formula C11H17N2O+ and molecular weight 193.13 g/mol. IUPAC: N,N-diethyl-1-methylpyridin-1-ium-3-carboxamide.
Chemical Property Profile of 3-(Diethylcarbamoyl)-1-methylpyridinium
Property Insights of 3-(Diethylcarbamoyl)-1-methylpyridinium
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Diethylcarbamoyl)-1-methylpyridinium. With a topological polar surface area (TPSA) of 24.2 Ų, 3-(Diethylcarbamoyl)-1-methylpyridinium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Diethylcarbamoyl)-1-methylpyridinium 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 3-(Diethylcarbamoyl)-1-methylpyridinium?
The CAS number of 3-(Diethylcarbamoyl)-1-methylpyridinium is 20168-80-3.
What is the molecular formula of 3-(Diethylcarbamoyl)-1-methylpyridinium?
The molecular formula of 3-(Diethylcarbamoyl)-1-methylpyridinium is C11H17N2O+.
What is the molecular weight of 3-(Diethylcarbamoyl)-1-methylpyridinium?
The molecular weight of 3-(Diethylcarbamoyl)-1-methylpyridinium is 193.13 g/mol.
Where can I buy 3-(Diethylcarbamoyl)-1-methylpyridinium?
You can request a quote for 3-(Diethylcarbamoyl)-1-methylpyridinium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Diethylcarbamoyl)-1-methylpyridinium?
Yes, KEHONG BIO provides custom synthesis services for 3-(Diethylcarbamoyl)-1-methylpyridinium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.