Benzyl(2-hydroxy-3-(tridecyloxy)propyl)dimethylammonium chloride
TL;DR: Benzyl(2-hydroxy-3-(tridecyloxy)propyl)dimethylammonium chloride (CAS 93858-97-0) is a chemical compound with molecular formula C25H46ClNO2 and molecular weight 427.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl-(2-hydroxy-3-tridecoxypropyl)-dimethylazanium chloride
Also Known As: EINECS 299-332-9, Benzyl(2-hydroxy-3-(tridecyloxy)propyl)dimethylammonium chloride, benzyl[2-hydroxy-3- propyl]dimethylammoniumchloride, benzyl-(2-hydroxy-3-tridecoxypropyl)-dimethylazanium chloride, benzyl-(2-hydroxy-3-tridecoxypropyl)-dimethylazanium,chloride
| Molecular Formula | C25H46ClNO2 |
|---|---|
| Molecular Weight | 427.32 g/mol |
| LogP | 2.9555 |
| Topological Polar Surface Area | 29.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 18 |
| Exact Mass | 427.32172 |
| Heavy Atoms | 29 |
| Complexity | 467.15097 |
Chemical Identifiers
| CAS Number | 93858-97-0 |
|---|---|
| SMILES | CCCCCCCCCCCCCOCC(C[N+](C)(C)CC1=CC=CC=C1)O.[Cl-] |
Product Overview
Benzyl(2-hydroxy-3-(tridecyloxy)propyl)dimethylammonium chloride (CAS 93858-97-0), with molecular formula C25H46ClNO2 and molecular weight 427.32 g/mol. IUPAC: benzyl-(2-hydroxy-3-tridecoxypropyl)-dimethylazanium chloride.
Chemical Property Profile of Benzyl(2-hydroxy-3-(tridecyloxy)propyl)dimethylammonium chloride
Property Insights of Benzyl(2-hydroxy-3-(tridecyloxy)propyl)dimethylammonium chloride
The XLogP value of 2.9555 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl(2-hydroxy-3-(tridecyloxy)propyl)dimethylammonium chloride. With a topological polar surface area (TPSA) of 29.46 Ų, Benzyl(2-hydroxy-3-(tridecyloxy)propyl)dimethylammonium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl(2-hydroxy-3-(tridecyloxy)propyl)dimethylammonium chloride has 1 hydrogen bond donor(s) and 2 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 Benzyl(2-hydroxy-3-(tridecyloxy)propyl)dimethylammonium chloride?
The CAS number of Benzyl(2-hydroxy-3-(tridecyloxy)propyl)dimethylammonium chloride is 93858-97-0.
What is the molecular formula of Benzyl(2-hydroxy-3-(tridecyloxy)propyl)dimethylammonium chloride?
The molecular formula of Benzyl(2-hydroxy-3-(tridecyloxy)propyl)dimethylammonium chloride is C25H46ClNO2.
What is the molecular weight of Benzyl(2-hydroxy-3-(tridecyloxy)propyl)dimethylammonium chloride?
The molecular weight of Benzyl(2-hydroxy-3-(tridecyloxy)propyl)dimethylammonium chloride is 427.32 g/mol.
Where can I buy Benzyl(2-hydroxy-3-(tridecyloxy)propyl)dimethylammonium chloride?
You can request a quote for Benzyl(2-hydroxy-3-(tridecyloxy)propyl)dimethylammonium chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl(2-hydroxy-3-(tridecyloxy)propyl)dimethylammonium chloride?
Yes, KEHONG BIO provides custom synthesis services for Benzyl(2-hydroxy-3-(tridecyloxy)propyl)dimethylammonium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.