RefChem:319221
TL;DR: RefChem:319221 (CAS 98843-98-2) is a chemical compound with molecular formula C18H36BrNO3 and molecular weight 393.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-cyclohexyl-3-hydroxypentanoyl)oxyethyl-diethyl-methylazanium bromide
Also Known As: Diethyl(2-hydroxyethyl)methylammonium bromide alpha-(1-hydroxypropyl)cyclohexaneacetate, Ammonium, diethyl(2-hydroxyethyl)methyl-, bromide, alpha-(1-hydroxypropyl)cyclohexaneacetate, 2-(2-cyclohexyl-3-hydroxypentanoyl)oxyethyl-diethyl-methylazanium bromide, 2-[(2-Cyclohexyl-3-hydroxypentanoyl)oxy]-N,N-diethyl-N-methylethan-1-aminium bromide, RefChem:319221
| Molecular Formula | C18H36BrNO3 |
|---|---|
| Molecular Weight | 393.19 g/mol |
| LogP | -0.01 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 393.18787 |
| Heavy Atoms | 23 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 98843-98-2 |
|---|---|
| SMILES | CCC(C(C1CCCCC1)C(=O)OCC[N+](C)(CC)CC)O.[Br-] |
| InChIKey | CNQIVBVGPHOISR-UHFFFAOYSA-M |
Product Overview
RefChem:319221 (CAS 98843-98-2), with molecular formula C18H36BrNO3 and molecular weight 393.19 g/mol. IUPAC: 2-(2-cyclohexyl-3-hydroxypentanoyl)oxyethyl-diethyl-methylazanium bromide.
Chemical Property Profile of RefChem:319221
Property Insights of RefChem:319221
The XLogP value of -0.01 indicates that RefChem:319221 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 46.5 Ų, RefChem:319221 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:319221 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:319221?
The CAS number of RefChem:319221 is 98843-98-2.
What is the molecular formula of RefChem:319221?
The molecular formula of RefChem:319221 is C18H36BrNO3.
What is the molecular weight of RefChem:319221?
The molecular weight of RefChem:319221 is 393.19 g/mol.
Where can I buy RefChem:319221?
You can request a quote for RefChem:319221 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:319221?
Yes, KEHONG BIO provides custom synthesis services for RefChem:319221 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.