RefChem:1056923
TL;DR: RefChem:1056923 (CAS 108670-13-9) is a chemical compound with molecular formula C31H37N3O9S and molecular weight 627.22504 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis((Z)-but-2-enedioic acid);1-[10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazin-2-yl]propan-1-one
Also Known As: 1-(10-(3-(4-Methyl-1-piperazinyl)propyl)phenothiazin-2-yl)-1-propanone dimaleate, 1-Propanone, 1-(10-(3-(4-methyl-1-piperazinyl)propyl)phenothiazin-2-yl)-, dimaleate, 1-Propanone, 1-(10-(3-(4-methyl-1-piperazinyl)propyl)phenothiazin-2-yl )-, dimaleate, (Z)-but-2-enedioic acid;1-[10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazin-2-yl]propan-1-one, (Z)-but-2-enedioic acid; 1-[10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazin-2-yl]propan-1-one
Technical Specifications
| Molecular Formula | C31H37N3O9S |
| Molecular Weight | 627.22504 g/mol |
| XLogP | 3.9431 |
| Topological Polar Surface Area (TPSA) | 201.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 10 |
| Exact Mass | 627.22504 Da |
| Heavy Atoms | 44 |
| Complexity | 641.0 |
| SMILES | CCC(=O)C1=CC2=C(SC3=CC=CC=C3N2CCCN4CCN(CC4)C)C=C1.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O |
| InChIKey | ZESZXZILVOWSIY-SPIKMXEPSA-N |
Chemical Property Profile of RefChem:1056923
Property Insights of RefChem:1056923
The XLogP value of 3.9431 indicates that RefChem:1056923 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 201.0 Ų indicates high polarity, suggesting RefChem:1056923 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1056923 has 4 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:1056923?
The CAS number of RefChem:1056923 is 108670-13-9.
What is the molecular formula of RefChem:1056923?
The molecular formula of RefChem:1056923 is C31H37N3O9S.
What is the molecular weight of RefChem:1056923?
The molecular weight of RefChem:1056923 is 627.22504 g/mol.
Where can I buy RefChem:1056923?
You can request a quote for RefChem:1056923 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1056923?
Yes, CoreyChem provides custom synthesis services for RefChem:1056923 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.