RefChem:319216
TL;DR: RefChem:319216 (CAS 101317-78-6) is a chemical compound with molecular formula C23H44BrNO3 and molecular weight 461.25046 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3,4-dicyclohexyl-4-hydroxybutanoyl)oxyethyl-diethyl-methylazanium bromide
Also Known As: Ammonium, diethyl(2-hydroxyethyl)methyl-, bromide, 2,3-dicyclohexyl-3-hydroxybutyrate, Diethyl(2-hydroxyethyl)methylammonium bromide 2,3-dicyclohexyl-3-hydroxybutyrate, 2-(3,4-Dicyclohexyl-4-hydroxybutanoyl)oxyethyl-diethyl-methylazaniumbromide, 2-(3,4-dicyclohexyl-4-hydroxybutanoyl)oxyethyl-diethyl-methylazanium, 2-(3,4-dicyclohexyl-4-hydroxybutanoyl)oxyethyl-diethyl-methylazanium bromide
Technical Specifications
| Molecular Formula | C23H44BrNO3 |
| Molecular Weight | 461.25046 g/mol |
| XLogP | 1.55 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 461.25046 Da |
| Heavy Atoms | 28 |
| Complexity | 423.0 |
| SMILES | CC[N+](C)(CC)CCOC(=O)CC(C1CCCCC1)C(C2CCCCC2)O.[Br-] |
| InChIKey | AADLHSOEEPHJJE-UHFFFAOYSA-M |
Chemical Property Profile of RefChem:319216
Property Insights of RefChem:319216
The XLogP value of 1.55 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:319216. With a topological polar surface area (TPSA) of 46.5 Ų, RefChem:319216 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:319216 has 1 hydrogen bond donor(s) and 4 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:319216?
The CAS number of RefChem:319216 is 101317-78-6.
What is the molecular formula of RefChem:319216?
The molecular formula of RefChem:319216 is C23H44BrNO3.
What is the molecular weight of RefChem:319216?
The molecular weight of RefChem:319216 is 461.25046 g/mol.
Where can I buy RefChem:319216?
You can request a quote for RefChem:319216 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:319216?
Yes, CoreyChem provides custom synthesis services for RefChem:319216 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.