RefChem:319217
TL;DR: RefChem:319217 (CAS 101474-60-6) is a chemical compound with molecular formula C22H44BrNO3 and molecular weight 449.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-cyclohexyl-3-hydroxynonanoyl)oxyethyl-diethyl-methylazanium bromide
Also Known As: Diethyl(2-hydroxyethyl)methylammonium bromide 2-cyclohexyl-3-hydroxynonanoate, Ammonium, diethyl(2-hydroxyethyl)methyl-, bromide, 2-cyclohexyl-3-hydroxynonanoate, 2-(2-cyclohexyl-3-hydroxynonanoyl)oxyethyl-diethyl-methylazanium bromide, 2-[(2-Cyclohexyl-3-hydroxynonanoyl)oxy]-N,N-diethyl-N-methylethan-1-aminium bromide, 2-[(2-cyclohexyl-3-hydroxynonanoyl)oxy]-n,n-diethyl-n-methylethanaminium bromide
| Molecular Formula | C22H44BrNO3 |
|---|---|
| Molecular Weight | 449.25 g/mol |
| LogP | 1.55 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 14 |
| Exact Mass | 449.25046 |
| Heavy Atoms | 27 |
| Complexity | 376.0 |
Chemical Identifiers
| CAS Number | 101474-60-6 |
|---|---|
| SMILES | CCCCCCC(C(C1CCCCC1)C(=O)OCC[N+](C)(CC)CC)O.[Br-] |
| InChIKey | ZJUYDPBHNKNTID-UHFFFAOYSA-M |
Product Overview
RefChem:319217 (CAS 101474-60-6), with molecular formula C22H44BrNO3 and molecular weight 449.25 g/mol. IUPAC: 2-(2-cyclohexyl-3-hydroxynonanoyl)oxyethyl-diethyl-methylazanium bromide.
Chemical Property Profile of RefChem:319217
Property Insights of RefChem:319217
The XLogP value of 1.55 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:319217. With a topological polar surface area (TPSA) of 46.5 Ų, RefChem:319217 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:319217 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
Frequently Asked Questions
What is the CAS number of RefChem:319217?
The CAS number of RefChem:319217 is 101474-60-6.
What is the molecular formula of RefChem:319217?
The molecular formula of RefChem:319217 is C22H44BrNO3.
What is the molecular weight of RefChem:319217?
The molecular weight of RefChem:319217 is 449.25 g/mol.
Where can I buy RefChem:319217?
You can request a quote for RefChem:319217 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:319217?
Yes, KEHONG BIO provides custom synthesis services for RefChem:319217 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.