RefChem:1056943
TL;DR: RefChem:1056943 (CAS 152271-10-8) is a chemical compound with molecular formula C44H66N2O12 and molecular weight 814.46155 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]propan-1-one)
Also Known As: (E)-but-2-enedioic acid;1-[4-(2-hydroxy-3-pyrrolidin-1-ylpropoxy)-3-(propoxymethyl)phenyl]propan-1-one, 1-Propanone, 1-(4-(2-hydroxy-3-(1-pyrrolidinyl)propoxy)-3-(propoxymethyl)phenyl)-, (E)-2-butenedioate (2:1) (salt), 1-Propanone, 1-(4-(2-hydroxy-3-(1-pyrrolidinyl)propoxy)-3-(propoxymeth yl)phenyl)-, (E)-2-butenedioa, (E)-but-2-enedioic acid; 1-[4-(2-hydroxy-3-pyrrolidin-1-ylpropoxy)-3-(propoxymethyl)phenyl]propan-1-one, 1-Propanone,1-(4-(2-hydroxy-3-(1-pyrrolidinyl)propoxy)-3-(propoxymeth yl)phenyl)-,(E)-2-butenedioate (2:1) (salt)
Technical Specifications
| Molecular Formula | C44H66N2O12 |
| Molecular Weight | 814.46155 g/mol |
| XLogP | 5.7946 |
| Topological Polar Surface Area (TPSA) | 193.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 24 |
| Exact Mass | 814.46155 Da |
| Heavy Atoms | 58 |
| Complexity | 503.0 |
| SMILES | CCCOCC1=C(C=CC(=C1)C(=O)CC)OCC(CN2CCCC2)O.CCCOCC1=C(C=CC(=C1)C(=O)CC)OCC(CN2CCCC2)O.C(=C/C(=O)O)\C(=O)O |
| InChIKey | CUDVCTHRAMFFPA-WXXKFALUSA-N |
Chemical Property Profile of RefChem:1056943
Property Insights of RefChem:1056943
The XLogP value of 5.7946 indicates that RefChem:1056943 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 193.0 Ų indicates high polarity, suggesting RefChem:1056943 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1056943 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:1056943?
The CAS number of RefChem:1056943 is 152271-10-8.
What is the molecular formula of RefChem:1056943?
The molecular formula of RefChem:1056943 is C44H66N2O12.
What is the molecular weight of RefChem:1056943?
The molecular weight of RefChem:1056943 is 814.46155 g/mol.
Where can I buy RefChem:1056943?
You can request a quote for RefChem:1056943 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1056943?
Yes, CoreyChem provides custom synthesis services for RefChem:1056943 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.