C22H25ClN2OS.2C4H4O4.1/2H2O
TL;DR: C22H25ClN2OS.2C4H4O4.1/2H2O (CAS 66949-64-2) is a chemical compound with molecular formula C30H33ClN2O9S and molecular weight 632.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((E)-but-2-enedioic acid);1-[7-chloro-9-[(4-methylpiperazin-1-yl)methyl]-9H-thioxanthen-2-yl]propan-1-one
Also Known As: C22H25ClN2OS.2C4H4O4.1/2H2O, 1-Propanone, 1-(7-chloro-9-((4-methyl-1-piperazinyl)methyl)-9H-thioxanthen-2-yl)-, (Z)-2-butenedioate, hydrate (2:4:1), C22-H25-Cl-N2-O-S.2C4-H4-O4.1/2H2-O, 2-Chloro-9-(4-methylpiperazinomethyl)-7-propionylthioxanthene bis(hydrogen maleate) 1/2H2O, (E)-but-2-enedioic acid; 1-[7-chloro-9-[(4-methylpiperazin-1-yl)methyl]-9H-thioxanthen-2-yl]propan-1-one
| Molecular Formula | C30H33ClN2O9S |
|---|---|
| Molecular Weight | 632.16 g/mol |
| LogP | 4.2002 |
| Topological Polar Surface Area | 172.75 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 632.15955 |
| Heavy Atoms | 43 |
| Complexity | 1335.9956 |
Chemical Identifiers
| CAS Number | 66949-64-2 |
|---|---|
| SMILES | CCC(=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
C22H25ClN2OS.2C4H4O4.1/2H2O (CAS 66949-64-2), with molecular formula C30H33ClN2O9S and molecular weight 632.16 g/mol. IUPAC: bis((E)-but-2-enedioic acid);1-[7-chloro-9-[(4-methylpiperazin-1-yl)methyl]-9H-thioxanthen-2-yl]propan-1-one.
Chemical Property Profile of C22H25ClN2OS.2C4H4O4.1/2H2O
Property Insights of C22H25ClN2OS.2C4H4O4.1/2H2O
The XLogP value of 4.2002 indicates that C22H25ClN2OS.2C4H4O4.1/2H2O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 172.75 Ų indicates high polarity, suggesting C22H25ClN2OS.2C4H4O4.1/2H2O may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C22H25ClN2OS.2C4H4O4.1/2H2O 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 C22H25ClN2OS.2C4H4O4.1/2H2O?
The CAS number of C22H25ClN2OS.2C4H4O4.1/2H2O is 66949-64-2.
What is the molecular formula of C22H25ClN2OS.2C4H4O4.1/2H2O?
The molecular formula of C22H25ClN2OS.2C4H4O4.1/2H2O is C30H33ClN2O9S.
What is the molecular weight of C22H25ClN2OS.2C4H4O4.1/2H2O?
The molecular weight of C22H25ClN2OS.2C4H4O4.1/2H2O is 632.16 g/mol.
Where can I buy C22H25ClN2OS.2C4H4O4.1/2H2O?
You can request a quote for C22H25ClN2OS.2C4H4O4.1/2H2O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C22H25ClN2OS.2C4H4O4.1/2H2O?
Yes, KEHONG BIO provides custom synthesis services for C22H25ClN2OS.2C4H4O4.1/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.