RefChem:199787
TL;DR: RefChem:199787 (CAS 58431-62-2) is a chemical compound with molecular formula C28H44NO2+ and molecular weight 426.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl-dimethyl-[2-[2-[3-methyl-4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium
Also Known As: Benzyldimethyl(2-(2-((4-(1,1,3,3-tetramethylbutyl)-m-tolyl)oxy)ethoxy)ethyl)ammonium, Benzyl-dimethyl-[2-[2-[3-methyl-4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium, BENZENEMETHANAMINIUM, N,N-DIMETHYL-N-(2-(2-(3-METHYL-4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY)ETHOXY)ETHYL)-, benzyldimethyl(2-{2-[3-methyl-4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy}ethyl)azanium, N,N-Dimethyl-N-[2-[2-[3-methyl-4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]benzenemethanaminium
| Molecular Formula | C28H44NO2+ |
|---|---|
| Molecular Weight | 426.34 g/mol |
| LogP | 7.1 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 12 |
| Exact Mass | 426.33722 |
| Heavy Atoms | 31 |
| Complexity | 502.0 |
Chemical Identifiers
| CAS Number | 58431-62-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2)C(C)(C)CC(C)(C)C |
| InChIKey | ULBZAXDVMDGCJQ-UHFFFAOYSA-N |
Product Overview
RefChem:199787 (CAS 58431-62-2), with molecular formula C28H44NO2+ and molecular weight 426.34 g/mol. IUPAC: benzyl-dimethyl-[2-[2-[3-methyl-4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium.
Chemical Property Profile of RefChem:199787
Property Insights of RefChem:199787
The XLogP value of 7.1 indicates that RefChem:199787 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, RefChem:199787 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:199787 has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:199787?
The CAS number of RefChem:199787 is 58431-62-2.
What is the molecular formula of RefChem:199787?
The molecular formula of RefChem:199787 is C28H44NO2+.
What is the molecular weight of RefChem:199787?
The molecular weight of RefChem:199787 is 426.34 g/mol.
Where can I buy RefChem:199787?
You can request a quote for RefChem:199787 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:199787?
Yes, KEHONG BIO provides custom synthesis services for RefChem:199787 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.