RefChem:1075211
TL;DR: RefChem:1075211 (CAS 118989-83-6) is a chemical compound with molecular formula C28H32N4O12 and molecular weight 616.20166 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis((E)-but-2-enedioic acid);2-[3-(2-hydroxyethyl)-4-phenylpiperazin-1-yl]-N-(2-nitrophenyl)acetamide
Also Known As: C20H24N4O4.2C4H4O4.1/2H2O, Acetamide, 2-(4-(2-hydroxyethyl)-1-piperazinyl)-N-(2-nitrophenyl)-N-phenyl-, (Z)-2-butenedioate, hydrate (2:4:1), C20-H24-N4-O4.2C4-H4-O4.1/2H2-O, (E)-but-2-enedioic acid; 2-[3-(2-hydroxyethyl)-4-phenylpiperazin-1-yl]-N-(2-nitrophenyl)acetamide, But-2-enedioic Acid; 2-[3-(2-hydroxyethyl)-4-phenyl-piperazin-1-yl]-N-(2-nitrophenyl)acetamide
Technical Specifications
| Molecular Formula | C28H32N4O12 |
| Molecular Weight | 616.20166 g/mol |
| XLogP | 1.5301 |
| Topological Polar Surface Area (TPSA) | 251.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 10 |
| Exact Mass | 616.20166 Da |
| Heavy Atoms | 44 |
| Complexity | 640.0 |
| SMILES | C1N(CC(N(C1)C2=CC=CC=C2)CCO)CC(=O)NC3=CC=CC=C3[N+](=O)[O-].C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
| InChIKey | KKGDJWMPOBURTI-LVEZLNDCSA-N |
Chemical Property Profile of RefChem:1075211
Property Insights of RefChem:1075211
The XLogP value of 1.5301 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1075211. The TPSA of 251.0 Ų indicates high polarity, suggesting RefChem:1075211 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1075211 has 6 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:1075211?
The CAS number of RefChem:1075211 is 118989-83-6.
What is the molecular formula of RefChem:1075211?
The molecular formula of RefChem:1075211 is C28H32N4O12.
What is the molecular weight of RefChem:1075211?
The molecular weight of RefChem:1075211 is 616.20166 g/mol.
Where can I buy RefChem:1075211?
You can request a quote for RefChem:1075211 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1075211?
Yes, CoreyChem provides custom synthesis services for RefChem:1075211 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.