Methylbenzethonium hydroxide
TL;DR: Methylbenzethonium hydroxide (CAS 41286-94-6) is a chemical compound with molecular formula C28H45NO3 and molecular weight 443.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl-dimethyl-[2-[2-[2-methyl-4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium hydroxide
Also Known As: Hyamine hydroxide, methylbenzethonium hydroxide, Benzyldimethyl(2-(2-(4-(1,1,3,3-tetramethylbutyl)tolyloxy)ethoxy)ethyl)ammonium hydroxide, Benzyldimethyl[2-[2-[4-(1,1,3,3-tetramethylbutyl)tolyloxy]ethoxy]ethyl]ammonium hydroxide, Benzenemethanaminium, N,N-dimethyl-N-(2-(2-(methyl-4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl)-, hydroxide
| Molecular Formula | C28H45NO3 |
|---|---|
| Molecular Weight | 443.34 g/mol |
| LogP | 6.20402 |
| Topological Polar Surface Area | 19.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Exact Mass | 443.33994 |
| Heavy Atoms | 32 |
| Complexity | 502.0 |
Chemical Identifiers
| CAS Number | 41286-94-6 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C(C)(C)CC(C)(C)C)OCCOCC[N+](C)(C)CC2=CC=CC=C2.[OH-] |
| InChIKey | MJAMCTLGWXIKOT-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methylbenzethonium hydroxide (CAS 41286-94-6), with molecular formula C28H45NO3 and molecular weight 443.34 g/mol. IUPAC: benzyl-dimethyl-[2-[2-[2-methyl-4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium hydroxide.
Chemical Property Profile of Methylbenzethonium hydroxide
Property Insights of Methylbenzethonium hydroxide
The XLogP value of 6.20402 indicates that Methylbenzethonium hydroxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 19.5 Ų, Methylbenzethonium hydroxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methylbenzethonium hydroxide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methylbenzethonium hydroxide?
The CAS number of Methylbenzethonium hydroxide is 41286-94-6.
What is the molecular formula of Methylbenzethonium hydroxide?
The molecular formula of Methylbenzethonium hydroxide is C28H45NO3.
What is the molecular weight of Methylbenzethonium hydroxide?
The molecular weight of Methylbenzethonium hydroxide is 443.34 g/mol.
Where can I buy Methylbenzethonium hydroxide?
You can request a quote for Methylbenzethonium hydroxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methylbenzethonium hydroxide?
Yes, KEHONG BIO provides custom synthesis services for Methylbenzethonium hydroxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.