Thioxanthen-9-one,hydrochloride
TL;DR: Thioxanthen-9-one,hydrochloride (CAS 99728-83-3) is a chemical compound with molecular formula C20H25ClN2O2S and molecular weight 392.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-[ethyl(2-hydroxyethyl)amino]ethylamino]-4-methylthioxanthen-9-one;hydrochloride
Also Known As: Thioxanthen-9-one,hydrochloride, Thioxanthen-9-one, 1-((2-(ethyl(2-hydroxyethyl)amino)ethyl)amino)-4-methyl-, hydrochloride, 1-((2-(Ethyl(2-hydroxyethyl)amino)ethyl)amino)-4-methylthioxanthen-9-one hydrochloride, 1-[2-[ethyl(2-hydroxyethyl)amino]ethylamino]-4-methylthioxanthen-9-one hydrochloride, 1-({2-[Ethyl(2-hydroxyethyl)amino]ethyl}amino)-4-methyl-9H-thioxanthen-9-one--hydrogen chloride (1/1)
| Molecular Formula | C20H25ClN2O2S |
|---|---|
| Molecular Weight | 392.13 g/mol |
| LogP | 3.87102 |
| Topological Polar Surface Area | 52.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 392.13254 |
| Heavy Atoms | 26 |
| Complexity | 942.13153 |
Chemical Identifiers
| CAS Number | 99728-83-3 |
|---|---|
| SMILES | CCN(CCNC1=C2C(=C(C=C1)C)SC3=CC=CC=C3C2=O)CCO.Cl |
Product Overview
Thioxanthen-9-one,hydrochloride (CAS 99728-83-3), with molecular formula C20H25ClN2O2S and molecular weight 392.13 g/mol. IUPAC: 1-[2-[ethyl(2-hydroxyethyl)amino]ethylamino]-4-methylthioxanthen-9-one;hydrochloride.
Chemical Property Profile of Thioxanthen-9-one,hydrochloride
Property Insights of Thioxanthen-9-one,hydrochloride
The XLogP value of 3.87102 indicates that Thioxanthen-9-one,hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.57 Ų, Thioxanthen-9-one,hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thioxanthen-9-one,hydrochloride has 2 hydrogen bond donor(s) and 5 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 Thioxanthen-9-one,hydrochloride?
The CAS number of Thioxanthen-9-one,hydrochloride is 99728-83-3.
What is the molecular formula of Thioxanthen-9-one,hydrochloride?
The molecular formula of Thioxanthen-9-one,hydrochloride is C20H25ClN2O2S.
What is the molecular weight of Thioxanthen-9-one,hydrochloride?
The molecular weight of Thioxanthen-9-one,hydrochloride is 392.13 g/mol.
Where can I buy Thioxanthen-9-one,hydrochloride?
You can request a quote for Thioxanthen-9-one,hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thioxanthen-9-one,hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Thioxanthen-9-one,hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.