RefChem:277852
TL;DR: RefChem:277852 (CAS 106095-27-6) is a chemical compound with molecular formula C17H26BrNO4 and molecular weight 387.10452 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl-[2-hydroxy-3-[4-(3-oxobut-1-en-2-yloxy)phenoxy]propyl]azanium bromide
Also Known As: (Z)-3-(4-(3-((1,1-Dimethylethyl)amino)-2-hydroxypropoxy)phenoxy)-3-buten-2-one hydrobromide, 3-Buten-2-one, 3-(4-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenoxy)-, hydrobromide, (Z)-, n-tert-butyl-2-hydroxy-3-{4-[(3-oxobut-1-en-2-yl)oxy]phenoxy}propan-1-aminium bromide, tert-butyl-[2-hydroxy-3-[4-(3-oxobut-1-en-2-yloxy)phenoxy]propyl]azanium;bromide, tert-Butyl-[2-hydroxy-3-[4-(3-oxobut-1-en-2-yloxy)phenoxy]propyl]azaniumbromide
Technical Specifications
| Molecular Formula | C17H26BrNO4 |
| Molecular Weight | 387.10452 g/mol |
| XLogP | -1.73 |
| Topological Polar Surface Area (TPSA) | 72.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 387.10452 Da |
| Heavy Atoms | 23 |
| Complexity | 367.0 |
| SMILES | CC(=O)C(=C)OC1=CC=C(C=C1)OCC(C[NH2+]C(C)(C)C)O.[Br-] |
| InChIKey | AOOFTCZBYGSNOW-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:277852
Property Insights of RefChem:277852
The XLogP value of -1.73 indicates that RefChem:277852 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 72.4 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:277852. Following Lipinski's Rule of Five, RefChem:277852 has 2 hydrogen bond donor(s) and 5 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:277852?
The CAS number of RefChem:277852 is 106095-27-6.
What is the molecular formula of RefChem:277852?
The molecular formula of RefChem:277852 is C17H26BrNO4.
What is the molecular weight of RefChem:277852?
The molecular weight of RefChem:277852 is 387.10452 g/mol.
Where can I buy RefChem:277852?
You can request a quote for RefChem:277852 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:277852?
Yes, CoreyChem provides custom synthesis services for RefChem:277852 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.