RefChem:1095664
TL;DR: RefChem:1095664 (CAS 131028-21-2) is a chemical compound with molecular formula C22H29N3O6S and molecular weight 463.1777 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-but-2-enedioic acid;1-[2-oxo-2-[4-(2-phenylsulfanylethyl)piperazin-1-yl]ethyl]pyrrolidin-2-one
Also Known As: Piperazine, 1-((2-oxo-1-pyrrolidinyl)acetyl)-4-(2-(phenylthio)ethyl)-, (Z)-2-butenedioate (1:1), (E)-but-2-enedioic acid; 1-[2-oxo-2-[4-(2-phenylsulfanylethyl)piperazin-1-yl]ethyl]pyrrolidin-2-one
Technical Specifications
| Molecular Formula | C22H29N3O6S |
| Molecular Weight | 463.1777 g/mol |
| XLogP | 1.2571 |
| Topological Polar Surface Area (TPSA) | 144.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 463.1777 Da |
| Heavy Atoms | 32 |
| Complexity | 551.0 |
| SMILES | C1CC(=O)N(C1)CC(=O)N2CCN(CC2)CCSC3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O |
| InChIKey | BSZWMXIWSHCMPF-WLHGVMLRSA-N |
Chemical Property Profile of RefChem:1095664
Property Insights of RefChem:1095664
The XLogP value of 1.2571 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1095664. The TPSA of 144.0 Ų indicates high polarity, suggesting RefChem:1095664 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1095664 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:1095664?
The CAS number of RefChem:1095664 is 131028-21-2.
What is the molecular formula of RefChem:1095664?
The molecular formula of RefChem:1095664 is C22H29N3O6S.
What is the molecular weight of RefChem:1095664?
The molecular weight of RefChem:1095664 is 463.1777 g/mol.
Where can I buy RefChem:1095664?
You can request a quote for RefChem:1095664 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1095664?
Yes, CoreyChem provides custom synthesis services for RefChem:1095664 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.