N-(4-Chloro-2-butyn-1-yl)-N,N-dimethyl-1-hexadecanaminium chloride
TL;DR: N-(4-Chloro-2-butyn-1-yl)-N,N-dimethyl-1-hexadecanaminium chloride (CAS 73663-98-6) is a chemical compound with molecular formula C22H43Cl2N and molecular weight 391.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chlorobut-2-ynyl-hexadecyl-dimethylazanium chloride
Also Known As: Ammonium, chloride, Dimethylhexadecyl(4-chloro-2-butynyl)ammonium chloride, 1-Hexadecanaminium,N-dimethyl-, chloride, AMMONIUM, (4-CHLORO-2-BUTYNYL)DIMETHYLHEXADECYL-, CHLORIDE, 1-Hexadecanaminium, N-(4-chloro-2-butynyl)-N,N-dimethyl-, chloride
| Molecular Formula | C22H43Cl2N |
|---|---|
| Molecular Weight | 391.28 g/mol |
| LogP | 3.79 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 16 |
| Exact Mass | 391.27725 |
| Heavy Atoms | 25 |
| Complexity | 323.0 |
Chemical Identifiers
| CAS Number | 73663-98-6 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC[N+](C)(C)CC#CCCl.[Cl-] |
| InChIKey | YGWQHADIQOGDRC-UHFFFAOYSA-M |
Product Overview
N-(4-Chloro-2-butyn-1-yl)-N,N-dimethyl-1-hexadecanaminium chloride (CAS 73663-98-6), with molecular formula C22H43Cl2N and molecular weight 391.28 g/mol. IUPAC: 4-chlorobut-2-ynyl-hexadecyl-dimethylazanium chloride.
Chemical Property Profile of N-(4-Chloro-2-butyn-1-yl)-N,N-dimethyl-1-hexadecanaminium chloride
Property Insights of N-(4-Chloro-2-butyn-1-yl)-N,N-dimethyl-1-hexadecanaminium chloride
The XLogP value of 3.79 indicates that N-(4-Chloro-2-butyn-1-yl)-N,N-dimethyl-1-hexadecanaminium chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, N-(4-Chloro-2-butyn-1-yl)-N,N-dimethyl-1-hexadecanaminium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-Chloro-2-butyn-1-yl)-N,N-dimethyl-1-hexadecanaminium chloride has 0 hydrogen bond donor(s) and 1 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 N-(4-Chloro-2-butyn-1-yl)-N,N-dimethyl-1-hexadecanaminium chloride?
The CAS number of N-(4-Chloro-2-butyn-1-yl)-N,N-dimethyl-1-hexadecanaminium chloride is 73663-98-6.
What is the molecular formula of N-(4-Chloro-2-butyn-1-yl)-N,N-dimethyl-1-hexadecanaminium chloride?
The molecular formula of N-(4-Chloro-2-butyn-1-yl)-N,N-dimethyl-1-hexadecanaminium chloride is C22H43Cl2N.
What is the molecular weight of N-(4-Chloro-2-butyn-1-yl)-N,N-dimethyl-1-hexadecanaminium chloride?
The molecular weight of N-(4-Chloro-2-butyn-1-yl)-N,N-dimethyl-1-hexadecanaminium chloride is 391.28 g/mol.
Where can I buy N-(4-Chloro-2-butyn-1-yl)-N,N-dimethyl-1-hexadecanaminium chloride?
You can request a quote for N-(4-Chloro-2-butyn-1-yl)-N,N-dimethyl-1-hexadecanaminium chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-Chloro-2-butyn-1-yl)-N,N-dimethyl-1-hexadecanaminium chloride?
Yes, KEHONG BIO provides custom synthesis services for N-(4-Chloro-2-butyn-1-yl)-N,N-dimethyl-1-hexadecanaminium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.