RefChem:1095791
TL;DR: RefChem:1095791 (CAS 131028-18-7) is a chemical compound with molecular formula C18H29N3O7 and molecular weight 399.20056 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-but-2-enedioic acid;1-[2-[4-(2-ethoxyethyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one
Also Known As: 1-(2-Ethoxyethyl)-4-((2-oxo-1-pyrrolidinyl)acetyl)piperazine (Z)-2-butenedioate (1:1), Piperazine, 1-(2-ethoxyethyl)-4-((2-oxo-1-pyrrolidinyl)acetyl)-, (Z)-2-butenedioate (1:1), (E)-but-2-enedioic acid; 1-[2-[4-(2-ethoxyethyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one
Technical Specifications
| Molecular Formula | C18H29N3O7 |
| Molecular Weight | 399.20056 g/mol |
| XLogP | -0.4987 |
| Topological Polar Surface Area (TPSA) | 128.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 399.20056 Da |
| Heavy Atoms | 28 |
| Complexity | 460.0 |
| SMILES | CCOCCN1CCN(CC1)C(=O)CN2CCCC2=O.C(=C/C(=O)O)\C(=O)O |
| InChIKey | IGRUZYTYIDVHMK-WLHGVMLRSA-N |
Chemical Property Profile of RefChem:1095791
Property Insights of RefChem:1095791
The XLogP value of -0.4987 indicates that RefChem:1095791 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1095791. Following Lipinski's Rule of Five, RefChem:1095791 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:1095791?
The CAS number of RefChem:1095791 is 131028-18-7.
What is the molecular formula of RefChem:1095791?
The molecular formula of RefChem:1095791 is C18H29N3O7.
What is the molecular weight of RefChem:1095791?
The molecular weight of RefChem:1095791 is 399.20056 g/mol.
Where can I buy RefChem:1095791?
You can request a quote for RefChem:1095791 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1095791?
Yes, CoreyChem provides custom synthesis services for RefChem:1095791 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.