RefChem:319223
TL;DR: RefChem:319223 (CAS 101317-77-5) 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-[2-cyclohexyl-2-(1-hydroxycyclooctyl)acetyl]oxyethyl-diethyl-methylazanium bromide
Also Known As: Diethyl(2-hydroxyethyl)methylammonium bromide alpha-cyclohexyl-1-hydroxycyclooctaneacetate, Ammonium, diethyl(2-hydroxyethyl)methyl-, bromide, alpha-cyclohexyl-1- hydroxycyclooctaneacetate, 2-[2-cyclohexyl-2-(1-hydroxycyclooctyl)acetyl]oxyethyl-diethyl-methylazanium bromide, 2-{[Cyclohexyl(1-hydroxycyclooctyl)acetyl]oxy}-N,N-diethyl-N-methylethan-1-aminium bromide, 2-{[cyclohexyl(1-hydroxycyclooctyl)acetyl]oxy}-n,n-diethyl-n-methylethanaminium bromide
Technical Specifications
| Molecular Formula | C23H44BrNO3 |
| Molecular Weight | 461.25046 g/mol |
| XLogP | 1.69 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 461.25046 Da |
| Heavy Atoms | 28 |
| Complexity | 433.0 |
| SMILES | CC[N+](C)(CC)CCOC(=O)C(C1CCCCC1)C2(CCCCCCC2)O.[Br-] |
| InChIKey | MNSXOSMYQISKNS-UHFFFAOYSA-M |
Chemical Property Profile of RefChem:319223
Property Insights of RefChem:319223
The XLogP value of 1.69 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:319223. With a topological polar surface area (TPSA) of 46.5 Ų, RefChem:319223 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:319223 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:319223?
The CAS number of RefChem:319223 is 101317-77-5.
What is the molecular formula of RefChem:319223?
The molecular formula of RefChem:319223 is C23H44BrNO3.
What is the molecular weight of RefChem:319223?
The molecular weight of RefChem:319223 is 461.25046 g/mol.
Where can I buy RefChem:319223?
You can request a quote for RefChem:319223 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:319223?
Yes, CoreyChem provides custom synthesis services for RefChem:319223 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.