RefChem:1095699
TL;DR: RefChem:1095699 (CAS 131028-14-3) is a chemical compound with molecular formula C17H27N3O6 and molecular weight 369.18997 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-propan-2-ylpiperazin-1-yl)ethyl]pyrrolidin-2-one
Also Known As: 1-(1-Methylethyl)-4-((2-oxo-1-pyrrolidinyl)acetyl)piperazine (Z)-2-butenedioate (1:1), Piperazine, 1-(1-methylethyl)-4-((2-oxo-1-pyrrolidinyl)acetyl)-, (Z)-2-butenedioate (1:1), (E)-but-2-enedioic acid; 1-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]pyrrolidin-2-one
Technical Specifications
| Molecular Formula | C17H27N3O6 |
| Molecular Weight | 369.18997 g/mol |
| XLogP | -0.1268 |
| Topological Polar Surface Area (TPSA) | 118.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 369.18997 Da |
| Heavy Atoms | 26 |
| Complexity | 441.0 |
| SMILES | CC(C)N1CCN(CC1)C(=O)CN2CCCC2=O.C(=C/C(=O)O)\C(=O)O |
| InChIKey | CKPQGQOFERMRSU-WLHGVMLRSA-N |
Chemical Property Profile of RefChem:1095699
Property Insights of RefChem:1095699
The XLogP value of -0.1268 indicates that RefChem:1095699 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1095699. Following Lipinski's Rule of Five, RefChem:1095699 has 2 hydrogen bond donor(s) and 7 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:1095699?
The CAS number of RefChem:1095699 is 131028-14-3.
What is the molecular formula of RefChem:1095699?
The molecular formula of RefChem:1095699 is C17H27N3O6.
What is the molecular weight of RefChem:1095699?
The molecular weight of RefChem:1095699 is 369.18997 g/mol.
Where can I buy RefChem:1095699?
You can request a quote for RefChem:1095699 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1095699?
Yes, CoreyChem provides custom synthesis services for RefChem:1095699 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.