2-Acetyl-7-chloro-9-(4-methylpiperazinomethyl)thioxanthene bis(hydrogen maleate)
TL;DR: 2-Acetyl-7-chloro-9-(4-methylpiperazinomethyl)thioxanthene bis(hydrogen maleate) (CAS 66949-62-0) is a chemical compound with molecular formula C29H31ClN2O9S and molecular weight 618.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((E)-but-2-enedioic acid);1-[7-chloro-9-[(4-methylpiperazin-1-yl)methyl]-9H-thioxanthen-2-yl]ethanone
Also Known As: 2-Acetyl-7-chloro-9-(4-methylpiperazinomethyl)thioxanthene bis(hydrogen maleate), Ethanone, 1-(7-chloro-9-((4-methyl-1-piperazinyl)methyl)-9H-thioxanthen-2-yl)-, (Z)-2-butenedioate (1:2), 1-(7-Chloro-9-((4-methyl-1-piperazinyl)methyl)-9H-thioxanthen-2-yl)ethanone bis(maleate), (E)-but-2-enedioic acid; 1-[7-chloro-9-[(4-methylpiperazin-1-yl)methyl]-9H-thioxanthen-2-yl]ethanone
| Molecular Formula | C29H31ClN2O9S |
|---|---|
| Molecular Weight | 618.14 g/mol |
| LogP | 3.8101 |
| Topological Polar Surface Area | 172.75 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 618.14386 |
| Heavy Atoms | 42 |
| Complexity | 1319.155 |
Chemical Identifiers
| CAS Number | 66949-62-0 |
|---|---|
| SMILES | CC(=O)C1=CC2=C(SC3=C(C2CN4CCN(CC4)C)C=C(C=C3)Cl)C=C1.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
2-Acetyl-7-chloro-9-(4-methylpiperazinomethyl)thioxanthene bis(hydrogen maleate) (CAS 66949-62-0), with molecular formula C29H31ClN2O9S and molecular weight 618.14 g/mol. IUPAC: bis((E)-but-2-enedioic acid);1-[7-chloro-9-[(4-methylpiperazin-1-yl)methyl]-9H-thioxanthen-2-yl]ethanone.
Chemical Property Profile of 2-Acetyl-7-chloro-9-(4-methylpiperazinomethyl)thioxanthene bis(hydrogen maleate)
Property Insights of 2-Acetyl-7-chloro-9-(4-methylpiperazinomethyl)thioxanthene bis(hydrogen maleate)
The XLogP value of 3.8101 indicates that 2-Acetyl-7-chloro-9-(4-methylpiperazinomethyl)thioxanthene bis(hydrogen maleate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 172.75 Ų indicates high polarity, suggesting 2-Acetyl-7-chloro-9-(4-methylpiperazinomethyl)thioxanthene bis(hydrogen maleate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Acetyl-7-chloro-9-(4-methylpiperazinomethyl)thioxanthene bis(hydrogen maleate) has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Acetyl-7-chloro-9-(4-methylpiperazinomethyl)thioxanthene bis(hydrogen maleate)?
The CAS number of 2-Acetyl-7-chloro-9-(4-methylpiperazinomethyl)thioxanthene bis(hydrogen maleate) is 66949-62-0.
What is the molecular formula of 2-Acetyl-7-chloro-9-(4-methylpiperazinomethyl)thioxanthene bis(hydrogen maleate)?
The molecular formula of 2-Acetyl-7-chloro-9-(4-methylpiperazinomethyl)thioxanthene bis(hydrogen maleate) is C29H31ClN2O9S.
What is the molecular weight of 2-Acetyl-7-chloro-9-(4-methylpiperazinomethyl)thioxanthene bis(hydrogen maleate)?
The molecular weight of 2-Acetyl-7-chloro-9-(4-methylpiperazinomethyl)thioxanthene bis(hydrogen maleate) is 618.14 g/mol.
Where can I buy 2-Acetyl-7-chloro-9-(4-methylpiperazinomethyl)thioxanthene bis(hydrogen maleate)?
You can request a quote for 2-Acetyl-7-chloro-9-(4-methylpiperazinomethyl)thioxanthene bis(hydrogen maleate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Acetyl-7-chloro-9-(4-methylpiperazinomethyl)thioxanthene bis(hydrogen maleate)?
Yes, KEHONG BIO provides custom synthesis services for 2-Acetyl-7-chloro-9-(4-methylpiperazinomethyl)thioxanthene bis(hydrogen maleate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.