RefChem:341056
TL;DR: RefChem:341056 (CAS 87049-13-6) is a chemical compound with molecular formula C22H40Cl2N2O5 and molecular weight 482.2314 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3-[2-acetyl-4-[3-(tert-butylazaniumyl)-2-hydroxypropoxy]phenoxy]-2-hydroxypropyl]-tert-butylazanium dichloride
Also Known As: 2,5-Bis((tert-butylamino)-2-hydroxypropoxy)acetophenone dihydrochloride, Ethanone, 1-(2,5-bis(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenyl)-, dihydrochloride, 1-(2,5-Bis(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenyl)ethanone dihydrochloride, [3-[2-acetyl-4-[3-(tert-butylazaniumyl)-2-hydroxypropoxy]phenoxy]-2-hydroxypropyl]-tert-butylazanium dichloride
Technical Specifications
| Molecular Formula | C22H40Cl2N2O5 |
| Molecular Weight | 482.2314 g/mol |
| XLogP | -5.9 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 13 |
| Exact Mass | 482.2314 Da |
| Heavy Atoms | 31 |
| Complexity | 487.0 |
| SMILES | CC(=O)C1=C(C=CC(=C1)OCC(C[NH2+]C(C)(C)C)O)OCC(C[NH2+]C(C)(C)C)O.[Cl-].[Cl-] |
| InChIKey | DIXJVWGTNZXSMZ-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:341056
Property Insights of RefChem:341056
The XLogP value of -5.9 indicates that RefChem:341056 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:341056. Following Lipinski's Rule of Five, RefChem:341056 has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:341056?
The CAS number of RefChem:341056 is 87049-13-6.
What is the molecular formula of RefChem:341056?
The molecular formula of RefChem:341056 is C22H40Cl2N2O5.
What is the molecular weight of RefChem:341056?
The molecular weight of RefChem:341056 is 482.2314 g/mol.
Where can I buy RefChem:341056?
You can request a quote for RefChem:341056 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:341056?
Yes, CoreyChem provides custom synthesis services for RefChem:341056 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.