RefChem:1056944
TL;DR: RefChem:1056944 (CAS 152271-02-8) 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-[2-hydroxy-3-(propylamino)propoxy]-3-(propoxymethyl)phenyl]propan-1-one)
Also Known As: 1-Propanone, 1-(4-(2-hydroxy-3-(propylamino)propoxy)-3-(propoxymethyl)phenyl)-, (E)-2-butenedioate (2:1) (salt), (E)-but-2-enedioic acid;1-[4-[2-hydroxy-3-(propylamino)propoxy]-3-(propoxymethyl)phenyl]propan-1-one, 1-Propanone, 1-(4-(2-hydroxy-3-(propylamino)propoxy)-3-(propoxymethyl) phenyl)-, (E)-2-butenedioate, (E)-but-2-enedioic acid,1-[4-[2-hydroxy-3-(propylamino)propoxy]-3-(propoxymethyl)phenyl]propan-1-one, (E)-but-2-enedioic acid; 1-[4-[2-hydroxy-3-(propylamino)propoxy]-3-(propoxymethyl)phenyl]propan-1-one
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 | CCCNCC(COC1=C(C=C(C=C1)C(=O)CC)COCCC)O.CCCNCC(COC1=C(C=C(C=C1)C(=O)CC)COCCC)O.C(=C/C(=O)O)\C(=O)O |
| InChIKey | SUNPDQIUTKYQKP-WXXKFALUSA-N |
Chemical Property Profile of RefChem:1056944
Property Insights of RefChem:1056944
The XLogP value of 5.6022 indicates that RefChem:1056944 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 210.0 Ų indicates high polarity, suggesting RefChem:1056944 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1056944 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:1056944?
The CAS number of RefChem:1056944 is 152271-02-8.
What is the molecular formula of RefChem:1056944?
The molecular formula of RefChem:1056944 is C42H66N2O12.
What is the molecular weight of RefChem:1056944?
The molecular weight of RefChem:1056944 is 790.46155 g/mol.
Where can I buy RefChem:1056944?
You can request a quote for RefChem:1056944 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1056944?
Yes, CoreyChem provides custom synthesis services for RefChem:1056944 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.