RefChem:117639
TL;DR: RefChem:117639 (CAS 68109-81-9) is a chemical compound with molecular formula C22H40ClNO2 and molecular weight 385.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl-[2-hydroxy-3-(8-methylnonoxy)propyl]-dimethylazanium chloride
Also Known As: Benzyl(2-hydroxy-3-((8-methylnonyl)oxy)propyl)dimethylammonium chloride, n-benzyl-2-hydroxy-n,n-dimethyl-3-[(8-methylnonyl)oxy]propan-1-aminium chloride, Benzenemethanaminium, N-(2-hydroxy-3-((8-methylnonyl)oxy)propyl)-N,N-dimethyl-, chloride, Benzenemethanaminium, N-(2-hydroxy-3-((8-methylnonyl)oxy)propyl)-N,N-dimethyl-, chloride (1:1), Benzenemethanaminium, N-[2-hydroxy-3-[(8-methylnonyl)oxy]propyl]-N,N-dimethyl-, chloride
| Molecular Formula | C22H40ClNO2 |
|---|---|
| Molecular Weight | 385.27 g/mol |
| LogP | 1.64 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 14 |
| Exact Mass | 385.27475 |
| Heavy Atoms | 26 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 68109-81-9 |
|---|---|
| SMILES | CC(C)CCCCCCCOCC(C[N+](C)(C)CC1=CC=CC=C1)O.[Cl-] |
| InChIKey | JWJDTKUEHDMIDR-UHFFFAOYSA-M |
Product Overview
RefChem:117639 (CAS 68109-81-9), with molecular formula C22H40ClNO2 and molecular weight 385.27 g/mol. IUPAC: benzyl-[2-hydroxy-3-(8-methylnonoxy)propyl]-dimethylazanium chloride.
Chemical Property Profile of RefChem:117639
Property Insights of RefChem:117639
The XLogP value of 1.64 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:117639. With a topological polar surface area (TPSA) of 29.5 Ų, RefChem:117639 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:117639 has 1 hydrogen bond donor(s) and 3 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:117639?
The CAS number of RefChem:117639 is 68109-81-9.
What is the molecular formula of RefChem:117639?
The molecular formula of RefChem:117639 is C22H40ClNO2.
What is the molecular weight of RefChem:117639?
The molecular weight of RefChem:117639 is 385.27 g/mol.
Where can I buy RefChem:117639?
You can request a quote for RefChem:117639 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:117639?
Yes, KEHONG BIO provides custom synthesis services for RefChem:117639 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.