1-((2-(Diethylamino)ethyl)methylamino)-4-methylthioxanthen-9-one N-oxide
TL;DR: 1-((2-(Diethylamino)ethyl)methylamino)-4-methylthioxanthen-9-one N-oxide (CAS 5648-52-2) is a chemical compound with molecular formula C21H26N2O2S and molecular weight 370.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(diethylamino)ethyl]-N,4-dimethyl-9-oxothioxanthen-1-amine oxide
Also Known As: Thioxanthen-9-one,1-((2- -4-methyl-,N-oxide, 1-((2-(Diethylamino)ethyl)methylamino)-4-methylthioxanthen-9-one N-oxide, Thioxanthen-9-one, 1-((2-(diethylamino)ethyl)methylamino)-4-methyl-, N-oxide, N-(2-diethylaminoethyl)-N,4-dimethyl-9-oxothioxanthen-1-amine oxide, 1H-Purine-8-acetonitrile,2,3,6,7-tetrahydro-1,3,7-trimethyl-2,6-dioxo
| Molecular Formula | C21H26N2O2S |
|---|---|
| Molecular Weight | 370.17 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 63.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 370.1715 |
| Heavy Atoms | 26 |
| Complexity | 498.0 |
Chemical Identifiers
| CAS Number | 5648-52-2 |
|---|---|
| SMILES | CCN(CC)CC[N+](C)(C1=C2C(=C(C=C1)C)SC3=CC=CC=C3C2=O)[O-] |
| InChIKey | LJASTAYOXCUWOP-UHFFFAOYSA-N |
Product Overview
1-((2-(Diethylamino)ethyl)methylamino)-4-methylthioxanthen-9-one N-oxide (CAS 5648-52-2), with molecular formula C21H26N2O2S and molecular weight 370.17 g/mol. IUPAC: N-[2-(diethylamino)ethyl]-N,4-dimethyl-9-oxothioxanthen-1-amine oxide.
Chemical Property Profile of 1-((2-(Diethylamino)ethyl)methylamino)-4-methylthioxanthen-9-one N-oxide
Property Insights of 1-((2-(Diethylamino)ethyl)methylamino)-4-methylthioxanthen-9-one N-oxide
The XLogP value of 4.0 indicates that 1-((2-(Diethylamino)ethyl)methylamino)-4-methylthioxanthen-9-one N-oxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-((2-(Diethylamino)ethyl)methylamino)-4-methylthioxanthen-9-one N-oxide. Following Lipinski's Rule of Five, 1-((2-(Diethylamino)ethyl)methylamino)-4-methylthioxanthen-9-one N-oxide has 0 hydrogen bond donor(s) and 4 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 1-((2-(Diethylamino)ethyl)methylamino)-4-methylthioxanthen-9-one N-oxide?
The CAS number of 1-((2-(Diethylamino)ethyl)methylamino)-4-methylthioxanthen-9-one N-oxide is 5648-52-2.
What is the molecular formula of 1-((2-(Diethylamino)ethyl)methylamino)-4-methylthioxanthen-9-one N-oxide?
The molecular formula of 1-((2-(Diethylamino)ethyl)methylamino)-4-methylthioxanthen-9-one N-oxide is C21H26N2O2S.
What is the molecular weight of 1-((2-(Diethylamino)ethyl)methylamino)-4-methylthioxanthen-9-one N-oxide?
The molecular weight of 1-((2-(Diethylamino)ethyl)methylamino)-4-methylthioxanthen-9-one N-oxide is 370.17 g/mol.
Where can I buy 1-((2-(Diethylamino)ethyl)methylamino)-4-methylthioxanthen-9-one N-oxide?
You can request a quote for 1-((2-(Diethylamino)ethyl)methylamino)-4-methylthioxanthen-9-one N-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-((2-(Diethylamino)ethyl)methylamino)-4-methylthioxanthen-9-one N-oxide?
Yes, KEHONG BIO provides custom synthesis services for 1-((2-(Diethylamino)ethyl)methylamino)-4-methylthioxanthen-9-one N-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.