RefChem:1084528
TL;DR: RefChem:1084528 (CAS 152271-08-4) is a chemical compound with molecular formula C42H62N2O12 and molecular weight 786.4303 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-but-2-enedioic acid;bis(1-[4-(2-hydroxy-3-pyrrolidin-1-ylpropoxy)-3-(propoxymethyl)phenyl]ethanone)
Also Known As: Ethanone, 1-(4-(2-hydroxy-3-(1-pyrrolidinyl)propoxy)-3-(propoxymethyl)phenyl)-, (E)-2-butenedioate (2:1) (salt), (E)-but-2-enedioic acid;1-[4-(2-hydroxy-3-pyrrolidin-1-ylpropoxy)-3-(propoxymethyl)phenyl]ethanone, but-2-enedioic acid, 1-[4-(2-hydroxy-3-pyrrolidin-1-yl-propoxy)-3-(pro poxymethyl)phenyl]ethanone, (E)-but-2-enedioic acid,1-[4-(2-hydroxy-3-pyrrolidin-1-ylpropoxy)-3-(propoxymethyl)phenyl]ethanone, (E)-but-2-enedioic acid; 1-[4-(2-hydroxy-3-pyrrolidin-1-ylpropoxy)-3-(propoxymethyl)phenyl]ethanone
Technical Specifications
| Molecular Formula | C42H62N2O12 |
| Molecular Weight | 786.4303 g/mol |
| XLogP | 5.0144 |
| Topological Polar Surface Area (TPSA) | 193.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 22 |
| Exact Mass | 786.4303 Da |
| Heavy Atoms | 56 |
| Complexity | 489.0 |
| SMILES | CCCOCC1=C(C=CC(=C1)C(=O)C)OCC(CN2CCCC2)O.CCCOCC1=C(C=CC(=C1)C(=O)C)OCC(CN2CCCC2)O.C(=C/C(=O)O)\C(=O)O |
| InChIKey | LAOCGLYVYUMEOP-WXXKFALUSA-N |
Chemical Property Profile of RefChem:1084528
Property Insights of RefChem:1084528
The XLogP value of 5.0144 indicates that RefChem:1084528 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 193.0 Ų indicates high polarity, suggesting RefChem:1084528 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1084528 has 4 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:1084528?
The CAS number of RefChem:1084528 is 152271-08-4.
What is the molecular formula of RefChem:1084528?
The molecular formula of RefChem:1084528 is C42H62N2O12.
What is the molecular weight of RefChem:1084528?
The molecular weight of RefChem:1084528 is 786.4303 g/mol.
Where can I buy RefChem:1084528?
You can request a quote for RefChem:1084528 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1084528?
Yes, CoreyChem provides custom synthesis services for RefChem:1084528 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.