Diethamquat
TL;DR: Diethamquat (CAS 400852-67-7) is a chemical compound with molecular formula C22H32N4O2+2 and molecular weight 384.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[1-[2-(diethylamino)-2-oxoethyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-N,N-diethylacetamide
Also Known As: Diethamquat, 1,1'-Bis[2-(diethylamino)-2-oxoethyl]-4,4'-bipyridin-1-ium, 1,1'-bis[(diethylcarbamoyl)methyl]-[4,4'-bipyridine]-1,1'-diium, 1,1 -Bis(diethylcarbamoylmethyl)[4,4 -bipyridine]-1,1 -diium, 2-[4-[1-[2-(diethylamino)-2-oxoethyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-N,N-diethylacetamide
| Molecular Formula | C22H32N4O2+2 |
|---|---|
| Molecular Weight | 384.25 g/mol |
| LogP | 1.6654 |
| Topological Polar Surface Area | 48.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 384.25253 |
| Heavy Atoms | 28 |
| Complexity | 696.62866 |
Chemical Identifiers
| CAS Number | 400852-67-7 |
|---|---|
| SMILES | CCN(CC)C(=O)C[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)CC(=O)N(CC)CC |
Product Overview
Diethamquat (CAS 400852-67-7), with molecular formula C22H32N4O2+2 and molecular weight 384.25 g/mol. IUPAC: 2-[4-[1-[2-(diethylamino)-2-oxoethyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-N,N-diethylacetamide.
Chemical Property Profile of Diethamquat
Property Insights of Diethamquat
The XLogP value of 1.6654 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethamquat. With a topological polar surface area (TPSA) of 48.38 Ų, Diethamquat exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethamquat 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 Diethamquat?
The CAS number of Diethamquat is 400852-67-7.
What is the molecular formula of Diethamquat?
The molecular formula of Diethamquat is C22H32N4O2+2.
What is the molecular weight of Diethamquat?
The molecular weight of Diethamquat is 384.25 g/mol.
Where can I buy Diethamquat?
You can request a quote for Diethamquat directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethamquat?
Yes, KEHONG BIO provides custom synthesis services for Diethamquat and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.