RefChem:1096733
TL;DR: RefChem:1096733 (CAS 135017-09-3) is a chemical compound with molecular formula C24H32N6O9 and molecular weight 548.2231 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis((E)-but-2-enedioic acid);2-[[3-[[5-[(dimethylamino)methyl]furan-2-yl]methylamino]propylamino]-(methylamino)methylidene]propanedinitrile
Also Known As: 4-Ethoxyamphetamine hydrochloride, Propanedinitrile, (((3-(((5-((dimethylamino)methyl)-2-furanyl)methyl)amino)propyl)amino)(methylamino)methylene)-, (E)-2-butenedioate (1:2), (E)-but-2-enedioic acid; 2-[[3-[[5-(dimethylaminomethyl)furan-2-yl]methylamino]propylamino]-(methylamino)methylidene]propanedinitrile, but-2-enedioic acid; 2-[[3-[[5-(dimethylaminomethyl)-2-furyl]methylamino]propylamino]-methylamino-methylidene]propanedinitrile
Technical Specifications
| Molecular Formula | C24H32N6O9 |
| Molecular Weight | 548.2231 g/mol |
| XLogP | 0.31226 |
| Topological Polar Surface Area (TPSA) | 249.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 14 |
| Exact Mass | 548.2231 Da |
| Heavy Atoms | 39 |
| Complexity | 584.0 |
| SMILES | CNC(=C(C#N)C#N)NCCCNCC1=CC=C(O1)CN(C)C.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
| InChIKey | SZAACTRVOLNLJU-LVEZLNDCSA-N |
Chemical Property Profile of RefChem:1096733
Property Insights of RefChem:1096733
The XLogP value of 0.31226 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1096733. The TPSA of 249.0 Ų indicates high polarity, suggesting RefChem:1096733 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1096733 has 7 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:1096733?
The CAS number of RefChem:1096733 is 135017-09-3.
What is the molecular formula of RefChem:1096733?
The molecular formula of RefChem:1096733 is C24H32N6O9.
What is the molecular weight of RefChem:1096733?
The molecular weight of RefChem:1096733 is 548.2231 g/mol.
Where can I buy RefChem:1096733?
You can request a quote for RefChem:1096733 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1096733?
Yes, CoreyChem provides custom synthesis services for RefChem:1096733 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.