RefChem:319220
TL;DR: RefChem:319220 (CAS 100210-92-2) is a chemical compound with molecular formula C20H38BrNO3 and molecular weight 419.20352 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-cyclohexyl-2-(1-hydroxycyclopentyl)acetyl]oxyethyl-diethyl-methylazanium bromide
Also Known As: Diethyl(2-hydroxyethyl)methylammonium bromide alpha-(1-hydroxycyclopentyl)cyclohexaneacetate, Ammonium, diethyl(2-hydroxyethyl)methyl-, bromide, alpha-(1-hydroxycyclopentyl)cyclohexaneacetate, 2-[2-cyclohexyl-2-(1-hydroxycyclopentyl)acetyl]oxyethyl-diethyl-methylazanium bromide, 2-{[Cyclohexyl(1-hydroxycyclopentyl)acetyl]oxy}-N,N-diethyl-N-methylethan-1-aminium bromide, 2-{[cyclohexyl(1-hydroxycyclopentyl)acetyl]oxy}-n,n-diethyl-n-methylethanaminium bromide
Technical Specifications
| Molecular Formula | C20H38BrNO3 |
| Molecular Weight | 419.20352 g/mol |
| XLogP | 0.52 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 419.20352 Da |
| Heavy Atoms | 25 |
| Complexity | 394.0 |
| SMILES | CC[N+](C)(CC)CCOC(=O)C(C1CCCCC1)C2(CCCC2)O.[Br-] |
| InChIKey | SOYHSIJZNXLFTA-UHFFFAOYSA-M |
Chemical Property Profile of RefChem:319220
Property Insights of RefChem:319220
The XLogP value of 0.52 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:319220. With a topological polar surface area (TPSA) of 46.5 Ų, RefChem:319220 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:319220 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:319220?
The CAS number of RefChem:319220 is 100210-92-2.
What is the molecular formula of RefChem:319220?
The molecular formula of RefChem:319220 is C20H38BrNO3.
What is the molecular weight of RefChem:319220?
The molecular weight of RefChem:319220 is 419.20352 g/mol.
Where can I buy RefChem:319220?
You can request a quote for RefChem:319220 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:319220?
Yes, CoreyChem provides custom synthesis services for RefChem:319220 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.