Ketone, 9-(3-(dimethylamino)propylidene)thioxanthen-2-yl methyl, hydrochloride
TL;DR: Ketone, 9-(3-(dimethylamino)propylidene)thioxanthen-2-yl methyl, hydrochloride (CAS 64058-42-0) is a chemical compound with molecular formula C20H22ClNOS and molecular weight 359.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3E)-3-(2-acetylthioxanthen-9-ylidene)propyl]-dimethylazanium chloride
Also Known As: KETONE, 9-(3-(DIMETHYLAMINO)PROPYLIDENE)THIOXANTHEN-2-YL METHYL, HYDROCHLORIDE, 2-Acetyl-9-(3-(dimethylamino)propylidene)thioxanthene, hydrochloride, Thioxanthene, 2-acetyl-9-(3-(dimethylamino)propylidene)-, hydrochloride, [(3E)-3-(2-acetylthioxanthen-9-ylidene)propyl]-dimethylazanium chloride, (3E)-3-(2-Acetyl-9H-thioxanthen-9-ylidene)-N,N-dimethylpropan-1-aminium chloride
| Molecular Formula | C20H22ClNOS |
|---|---|
| Molecular Weight | 359.11 g/mol |
| LogP | 0.3241 |
| Topological Polar Surface Area | 21.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 359.11105 |
| Heavy Atoms | 24 |
| Complexity | 782.9584 |
Chemical Identifiers
| CAS Number | 64058-42-0 |
|---|---|
| SMILES | CC(=O)C1=CC\2=C(C=C1)SC3=CC=CC=C3/C2=C\CC[NH+](C)C.[Cl-] |
Product Overview
Ketone, 9-(3-(dimethylamino)propylidene)thioxanthen-2-yl methyl, hydrochloride (CAS 64058-42-0), with molecular formula C20H22ClNOS and molecular weight 359.11 g/mol. IUPAC: [(3E)-3-(2-acetylthioxanthen-9-ylidene)propyl]-dimethylazanium chloride.
Chemical Property Profile of Ketone, 9-(3-(dimethylamino)propylidene)thioxanthen-2-yl methyl, hydrochloride
Property Insights of Ketone, 9-(3-(dimethylamino)propylidene)thioxanthen-2-yl methyl, hydrochloride
The XLogP value of 0.3241 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ketone, 9-(3-(dimethylamino)propylidene)thioxanthen-2-yl methyl, hydrochloride. With a topological polar surface area (TPSA) of 21.51 Ų, Ketone, 9-(3-(dimethylamino)propylidene)thioxanthen-2-yl methyl, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ketone, 9-(3-(dimethylamino)propylidene)thioxanthen-2-yl methyl, hydrochloride 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 Ketone, 9-(3-(dimethylamino)propylidene)thioxanthen-2-yl methyl, hydrochloride?
The CAS number of Ketone, 9-(3-(dimethylamino)propylidene)thioxanthen-2-yl methyl, hydrochloride is 64058-42-0.
What is the molecular formula of Ketone, 9-(3-(dimethylamino)propylidene)thioxanthen-2-yl methyl, hydrochloride?
The molecular formula of Ketone, 9-(3-(dimethylamino)propylidene)thioxanthen-2-yl methyl, hydrochloride is C20H22ClNOS.
What is the molecular weight of Ketone, 9-(3-(dimethylamino)propylidene)thioxanthen-2-yl methyl, hydrochloride?
The molecular weight of Ketone, 9-(3-(dimethylamino)propylidene)thioxanthen-2-yl methyl, hydrochloride is 359.11 g/mol.
Where can I buy Ketone, 9-(3-(dimethylamino)propylidene)thioxanthen-2-yl methyl, hydrochloride?
You can request a quote for Ketone, 9-(3-(dimethylamino)propylidene)thioxanthen-2-yl methyl, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ketone, 9-(3-(dimethylamino)propylidene)thioxanthen-2-yl methyl, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Ketone, 9-(3-(dimethylamino)propylidene)thioxanthen-2-yl methyl, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.