7-Chloro-alpha-methyl-9-((4-methyl-1-piperazinyl)methyl)-9H-thioxanthene-2-methanol bismaleate
TL;DR: 7-Chloro-alpha-methyl-9-((4-methyl-1-piperazinyl)methyl)-9H-thioxanthene-2-methanol bismaleate (CAS 66949-71-1) is a chemical compound with molecular formula C29H33ClN2O9S and molecular weight 620.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((E)-but-2-enedioic acid);[7-chloro-1-methyl-9-[(4-methylpiperazin-1-yl)methyl]-9H-thioxanthen-2-yl]methanol
Also Known As: 7-Chloro-alpha-methyl-9-((4-methyl-1-piperazinyl)methyl)-9H-thioxanthene-2-methanol bismaleate, 9H-Thioxanthene-2-methanol, 7-chloro-alpha-methyl-9-((4-methyl-1-piperazinyl)methyl)-, (Z)-2-butenedioate (1:2), 2-Chloro-7-(1-hydroxyethyl)-9-(4-methylpiperazinomethyl)thioxanthene bis(hydrogen maleate), (E)-but-2-enedioic acid; [7-chloro-1-methyl-9-[(4-methylpiperazin-1-yl)methyl]-9H-thioxanthen-2-yl]methanol
| Molecular Formula | C29H33ClN2O9S |
|---|---|
| Molecular Weight | 620.16 g/mol |
| LogP | 3.40822 |
| Topological Polar Surface Area | 175.91 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 620.15955 |
| Heavy Atoms | 42 |
| Complexity | 1288.8555 |
Chemical Identifiers
| CAS Number | 66949-71-1 |
|---|---|
| SMILES | CC1=C(C=CC2=C1C(C3=C(S2)C=CC(=C3)Cl)CN4CCN(CC4)C)CO.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
7-Chloro-alpha-methyl-9-((4-methyl-1-piperazinyl)methyl)-9H-thioxanthene-2-methanol bismaleate (CAS 66949-71-1), with molecular formula C29H33ClN2O9S and molecular weight 620.16 g/mol. IUPAC: bis((E)-but-2-enedioic acid);[7-chloro-1-methyl-9-[(4-methylpiperazin-1-yl)methyl]-9H-thioxanthen-2-yl]methanol.
Chemical Property Profile of 7-Chloro-alpha-methyl-9-((4-methyl-1-piperazinyl)methyl)-9H-thioxanthene-2-methanol bismaleate
Property Insights of 7-Chloro-alpha-methyl-9-((4-methyl-1-piperazinyl)methyl)-9H-thioxanthene-2-methanol bismaleate
The XLogP value of 3.40822 indicates that 7-Chloro-alpha-methyl-9-((4-methyl-1-piperazinyl)methyl)-9H-thioxanthene-2-methanol bismaleate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 175.91 Ų indicates high polarity, suggesting 7-Chloro-alpha-methyl-9-((4-methyl-1-piperazinyl)methyl)-9H-thioxanthene-2-methanol bismaleate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 7-Chloro-alpha-methyl-9-((4-methyl-1-piperazinyl)methyl)-9H-thioxanthene-2-methanol bismaleate has 5 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 7-Chloro-alpha-methyl-9-((4-methyl-1-piperazinyl)methyl)-9H-thioxanthene-2-methanol bismaleate?
The CAS number of 7-Chloro-alpha-methyl-9-((4-methyl-1-piperazinyl)methyl)-9H-thioxanthene-2-methanol bismaleate is 66949-71-1.
What is the molecular formula of 7-Chloro-alpha-methyl-9-((4-methyl-1-piperazinyl)methyl)-9H-thioxanthene-2-methanol bismaleate?
The molecular formula of 7-Chloro-alpha-methyl-9-((4-methyl-1-piperazinyl)methyl)-9H-thioxanthene-2-methanol bismaleate is C29H33ClN2O9S.
What is the molecular weight of 7-Chloro-alpha-methyl-9-((4-methyl-1-piperazinyl)methyl)-9H-thioxanthene-2-methanol bismaleate?
The molecular weight of 7-Chloro-alpha-methyl-9-((4-methyl-1-piperazinyl)methyl)-9H-thioxanthene-2-methanol bismaleate is 620.16 g/mol.
Where can I buy 7-Chloro-alpha-methyl-9-((4-methyl-1-piperazinyl)methyl)-9H-thioxanthene-2-methanol bismaleate?
You can request a quote for 7-Chloro-alpha-methyl-9-((4-methyl-1-piperazinyl)methyl)-9H-thioxanthene-2-methanol bismaleate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Chloro-alpha-methyl-9-((4-methyl-1-piperazinyl)methyl)-9H-thioxanthene-2-methanol bismaleate?
Yes, KEHONG BIO provides custom synthesis services for 7-Chloro-alpha-methyl-9-((4-methyl-1-piperazinyl)methyl)-9H-thioxanthene-2-methanol bismaleate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.