Halopenium
TL;DR: Halopenium (CAS 783240-86-8) is a chemical compound with molecular formula C22H30BrClNO+ and molecular weight 438.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-bromophenyl)methyl-[3-(4-chloro-5-methyl-2-propan-2-ylphenoxy)propyl]-dimethylazanium
Also Known As: Halopenium, Halopenium ion, Halopenium cation, 4-Bromobenzyl(3-(4-chloro-5-methyl-2-isopropylphenoxy)propyl)dimethylammonium, (4-bromophenyl)methyl-[3-(4-chloro-5-methyl-2-propan-2-yl-phenoxy)propyl]-dimethyl-azanium
| Molecular Formula | C22H30BrClNO+ |
|---|---|
| Molecular Weight | 438.12 g/mol |
| LogP | 6.6 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 8 |
| Exact Mass | 438.11993 |
| Heavy Atoms | 26 |
| Complexity | 409.0 |
Chemical Identifiers
| CAS Number | 783240-86-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1Cl)C(C)C)OCCC[N+](C)(C)CC2=CC=C(C=C2)Br |
| InChIKey | VSXZKSNSPQZSDB-UHFFFAOYSA-N |
Product Overview
Halopenium (CAS 783240-86-8), with molecular formula C22H30BrClNO+ and molecular weight 438.12 g/mol. IUPAC: (4-bromophenyl)methyl-[3-(4-chloro-5-methyl-2-propan-2-ylphenoxy)propyl]-dimethylazanium.
Chemical Property Profile of Halopenium
Property Insights of Halopenium
The XLogP value of 6.6 indicates that Halopenium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, Halopenium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Halopenium has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Halopenium?
The CAS number of Halopenium is 783240-86-8.
What is the molecular formula of Halopenium?
The molecular formula of Halopenium is C22H30BrClNO+.
What is the molecular weight of Halopenium?
The molecular weight of Halopenium is 438.12 g/mol.
Where can I buy Halopenium?
You can request a quote for Halopenium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Halopenium?
Yes, KEHONG BIO provides custom synthesis services for Halopenium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.