RefChem:1075212
TL;DR: RefChem:1075212 (CAS 119017-78-6) is a chemical compound with molecular formula C29H34N4O12 and molecular weight 630.21735 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis((E)-but-2-enedioic acid);N-(3-hydroxypropyl)-N-(2-nitrophenyl)-2-(4-phenylpiperazin-1-yl)acetamide
Also Known As: C21H26N4O4.2C4H4O4.1/2H2O, Acetamide, 2-(4-(3-hydroxypropyl)-1-piperazinyl)-N-(2-nitrophenyl)-N-phenyl-, (Z)-2-butenedioate, hydrate (2:4:1), C21-H26-N4-O4.2C4-H4-O4.1/2H2-O, 4,7,13,16,22-pentaoxa-1,10-diazabicyclo<8,8,7>pentacosane, (E)-but-2-enedioic acid; N-(3-hydroxypropyl)-N-(2-nitrophenyl)-2-(4-phenylpiperazin-1-yl)acetamide
Technical Specifications
| Molecular Formula | C29H34N4O12 |
| Molecular Weight | 630.21735 g/mol |
| XLogP | 1.556 |
| Topological Polar Surface Area (TPSA) | 242.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 11 |
| Exact Mass | 630.21735 Da |
| Heavy Atoms | 45 |
| Complexity | 646.0 |
| SMILES | C1N(CCN(C1)C2=CC=CC=C2)CC(=O)N(C3=CC=CC=C3[N+](=O)[O-])CCCO.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
| InChIKey | PNOGGQBDVZVDOD-LVEZLNDCSA-N |
Chemical Property Profile of RefChem:1075212
Property Insights of RefChem:1075212
The XLogP value of 1.556 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1075212. The TPSA of 242.0 Ų indicates high polarity, suggesting RefChem:1075212 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1075212 has 5 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:1075212?
The CAS number of RefChem:1075212 is 119017-78-6.
What is the molecular formula of RefChem:1075212?
The molecular formula of RefChem:1075212 is C29H34N4O12.
What is the molecular weight of RefChem:1075212?
The molecular weight of RefChem:1075212 is 630.21735 g/mol.
Where can I buy RefChem:1075212?
You can request a quote for RefChem:1075212 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1075212?
Yes, CoreyChem provides custom synthesis services for RefChem:1075212 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.