RefChem:1067461
TL;DR: RefChem:1067461 (CAS 106063-74-5) is a chemical compound with molecular formula C32H38N2O12 and molecular weight 642.2425 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis((Z)-but-2-enedioic acid);(Z)-3-[2-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]phenoxy]-4-phenylbut-3-en-2-one
Also Known As: 3-Buten-2-one, 3-(2-(2-hydroxy-3-(4-methyl-1-piperazinyl)propoxy)phenoxy)-4-phenyl-, maleate (1:2), (Z)-, 3-BUTEN-2-ONE, 3-(2-(2-HYDROXY-3-(4-METHYL-1-PIPERAZINYL)PROPOXY)PHENOXY)-4-PHEN, (Z)-but-2-enedioic acid; (Z)-3-[2-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]phenoxy]-4-phenylbut-3-en-2-one
Technical Specifications
| Molecular Formula | C32H38N2O12 |
| Molecular Weight | 642.2425 g/mol |
| XLogP | 2.1062 |
| Topological Polar Surface Area (TPSA) | 211.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 13 |
| Exact Mass | 642.2425 Da |
| Heavy Atoms | 46 |
| Complexity | 672.0 |
| SMILES | CC(=O)/C(=C/C1=CC=CC=C1)/OC2=CC=CC=C2OCC(O)CN3CCN(CC3)C.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O |
| InChIKey | YSBHKFMOZZHNGL-XUPSFGKCSA-N |
Chemical Property Profile of RefChem:1067461
Property Insights of RefChem:1067461
The XLogP value of 2.1062 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1067461. The TPSA of 211.0 Ų indicates high polarity, suggesting RefChem:1067461 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1067461 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:1067461?
The CAS number of RefChem:1067461 is 106063-74-5.
What is the molecular formula of RefChem:1067461?
The molecular formula of RefChem:1067461 is C32H38N2O12.
What is the molecular weight of RefChem:1067461?
The molecular weight of RefChem:1067461 is 642.2425 g/mol.
Where can I buy RefChem:1067461?
You can request a quote for RefChem:1067461 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1067461?
Yes, CoreyChem provides custom synthesis services for RefChem:1067461 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.