RefChem:1084530
TL;DR: RefChem:1084530 (CAS 152271-00-6) is a chemical compound with molecular formula C42H66N2O12 and molecular weight 790.46155 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-[3-(butylamino)-2-hydroxypropoxy]-3-(propoxymethyl)phenyl]ethanone)
Also Known As: Ethanone, 1-(4-(3-(butylamino)-2-hydroxypropoxy)-3-(propoxymethyl)phenyl)-, (E)-2-butenedioate (2:1) (salt), But-2-enedioic Acid; 1-[4-(3-butylamino-2-hydroxy-propoxy)-3-(propoxymethyl)phenyl]ethanone, (E)-but-2-enedioic acid;1-[4-[3-(butylamino)-2-hydroxypropoxy]-3-(propoxymethyl)phenyl]ethanone, (E)-but-2-enedioic acid; 1-[4-[3-(butylamino)-2-hydroxypropoxy]-3-(propoxymethyl)phenyl]ethanone
Technical Specifications
| Molecular Formula | C42H66N2O12 |
| Molecular Weight | 790.46155 g/mol |
| XLogP | 5.6022 |
| Topological Polar Surface Area (TPSA) | 210.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 28 |
| Exact Mass | 790.46155 Da |
| Heavy Atoms | 56 |
| Complexity | 456.0 |
| SMILES | CCCCNCC(COC1=C(C=C(C=C1)C(=O)C)COCCC)O.CCCCNCC(COC1=C(C=C(C=C1)C(=O)C)COCCC)O.C(=C/C(=O)O)\C(=O)O |
| InChIKey | PCXKEDMATJEFIJ-WXXKFALUSA-N |
Chemical Property Profile of RefChem:1084530
Property Insights of RefChem:1084530
The XLogP value of 5.6022 indicates that RefChem:1084530 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 210.0 Ų indicates high polarity, suggesting RefChem:1084530 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1084530 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:1084530?
The CAS number of RefChem:1084530 is 152271-00-6.
What is the molecular formula of RefChem:1084530?
The molecular formula of RefChem:1084530 is C42H66N2O12.
What is the molecular weight of RefChem:1084530?
The molecular weight of RefChem:1084530 is 790.46155 g/mol.
Where can I buy RefChem:1084530?
You can request a quote for RefChem:1084530 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1084530?
Yes, CoreyChem provides custom synthesis services for RefChem:1084530 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.