RefChem:319222
TL;DR: RefChem:319222 (CAS 100916-78-7) is a chemical compound with molecular formula C21H40BrNO3 and molecular weight 433.21915 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-cyclohexyl-2-(1-hydroxycyclohexyl)acetyl]oxyethyl-diethyl-methylazanium bromide
Also Known As: Diethyl(2-hydroxyethyl)methylammonium bromide alpha-cyclohexyl-1-hydroxycyclohexaneacetate, Ammonium, diethyl(2-hydroxyethyl)methyl-, bromide, alpha-cyclohexyl-1- hydroxycyclohexaneacetate, 2-[2-cyclohexyl-2-(1-hydroxycyclohexyl)acetyl]oxyethyl-diethyl-methylazanium;bromide, Diethyl(2-hydroxyethyl)methylammonium bromide alpha-cyclohexyl-1-hydro xycyclohexaneacetate, 2-[2-cyclohexyl-2-(1-hydroxycyclohexyl)acetyl]oxyethyl-diethyl-methylazanium bromide
Technical Specifications
| Molecular Formula | C21H40BrNO3 |
| Molecular Weight | 433.21915 g/mol |
| XLogP | 0.91 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 433.21915 Da |
| Heavy Atoms | 26 |
| Complexity | 407.0 |
| SMILES | CC[N+](C)(CC)CCOC(=O)C(C1CCCCC1)C2(CCCCC2)O.[Br-] |
| InChIKey | WADCYOUWAGZWFX-UHFFFAOYSA-M |
Chemical Property Profile of RefChem:319222
Property Insights of RefChem:319222
The XLogP value of 0.91 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:319222. With a topological polar surface area (TPSA) of 46.5 Ų, RefChem:319222 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:319222 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:319222?
The CAS number of RefChem:319222 is 100916-78-7.
What is the molecular formula of RefChem:319222?
The molecular formula of RefChem:319222 is C21H40BrNO3.
What is the molecular weight of RefChem:319222?
The molecular weight of RefChem:319222 is 433.21915 g/mol.
Where can I buy RefChem:319222?
You can request a quote for RefChem:319222 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:319222?
Yes, CoreyChem provides custom synthesis services for RefChem:319222 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.