RefChem:1056528
TL;DR: RefChem:1056528 (CAS 161364-46-1) is a chemical compound with molecular formula C28H37N3O12S2 and molecular weight 671.1819 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis((E)-but-2-enedioic acid);S-[2-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2-oxoethyl] 2-(4-methylpiperazin-1-yl)ethanethioate
Also Known As: 1-Piperazineethanethioic acid, 4-methyl-, S-(2-(2-((2-methoxyphenoxy)methyl)-3-thiazolidinyl)-2-oxoethyl) ester, (Z)-2-butenedioate (1:2), (E)-but-2-enedioic acid; S-[2-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2-oxoethyl] 2-(4-methylpiperazin-1-yl)ethanethioate
Technical Specifications
| Molecular Formula | C28H37N3O12S2 |
| Molecular Weight | 671.1819 g/mol |
| XLogP | 0.9063 |
| Topological Polar Surface Area (TPSA) | 262.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 13 |
| Exact Mass | 671.1819 Da |
| Heavy Atoms | 45 |
| Complexity | 665.0 |
| SMILES | CN1CCN(CC1)CC(=O)SCC(=O)N2C(SCC2)COC3=CC=CC=C3OC.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
| InChIKey | IOGIQSPLXIGLNS-LVEZLNDCSA-N |
Chemical Property Profile of RefChem:1056528
Property Insights of RefChem:1056528
The XLogP value of 0.9063 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1056528. The TPSA of 262.0 Ų indicates high polarity, suggesting RefChem:1056528 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1056528 has 4 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:1056528?
The CAS number of RefChem:1056528 is 161364-46-1.
What is the molecular formula of RefChem:1056528?
The molecular formula of RefChem:1056528 is C28H37N3O12S2.
What is the molecular weight of RefChem:1056528?
The molecular weight of RefChem:1056528 is 671.1819 g/mol.
Where can I buy RefChem:1056528?
You can request a quote for RefChem:1056528 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1056528?
Yes, CoreyChem provides custom synthesis services for RefChem:1056528 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.