alpha-(4-Chlorobutyl)-alpha-(2-(dimethylamino)ethyl)-2-thiopheneacetonitrile hydrochloride
TL;DR: alpha-(4-Chlorobutyl)-alpha-(2-(dimethylamino)ethyl)-2-thiopheneacetonitrile hydrochloride (CAS 58562-66-6) is a chemical compound with molecular formula C14H22Cl2N2S and molecular weight 320.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-2-[2-(dimethylamino)ethyl]-2-thiophen-2-ylhexanenitrile;hydrochloride
Also Known As: alpha-(4-Chlorobutyl)-alpha-(2-(dimethylamino)ethyl)-2-thiopheneacetonitrile hydrochloride, 2-Thiopheneacetonitrile, alpha-(4-chlorobutyl)-alpha-(2-(dimethylamino)ethyl)-, monohydrochloride, 6-chloro-2-(2-dimethylaminoethyl)-2-thiophen-2-ylhexanenitrile hydrochloride, 6-Chloro-2-[2-(dimethylamino)ethyl]-2-(thiophen-2-yl)hexanenitrile--hydrogen chloride (1/1), RefChem:267324
| Molecular Formula | C14H22Cl2N2S |
|---|---|
| Molecular Weight | 320.09 g/mol |
| LogP | 4.29208 |
| Topological Polar Surface Area | 27.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 320.08807 |
| Heavy Atoms | 19 |
| Complexity | 373.29773 |
Chemical Identifiers
| CAS Number | 58562-66-6 |
|---|---|
| SMILES | CN(C)CCC(CCCCCl)(C#N)C1=CC=CS1.Cl |
Product Overview
alpha-(4-Chlorobutyl)-alpha-(2-(dimethylamino)ethyl)-2-thiopheneacetonitrile hydrochloride (CAS 58562-66-6), with molecular formula C14H22Cl2N2S and molecular weight 320.09 g/mol. IUPAC: 6-chloro-2-[2-(dimethylamino)ethyl]-2-thiophen-2-ylhexanenitrile;hydrochloride.
Chemical Property Profile of alpha-(4-Chlorobutyl)-alpha-(2-(dimethylamino)ethyl)-2-thiopheneacetonitrile hydrochloride
Property Insights of alpha-(4-Chlorobutyl)-alpha-(2-(dimethylamino)ethyl)-2-thiopheneacetonitrile hydrochloride
The XLogP value of 4.29208 indicates that alpha-(4-Chlorobutyl)-alpha-(2-(dimethylamino)ethyl)-2-thiopheneacetonitrile hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.03 Ų, alpha-(4-Chlorobutyl)-alpha-(2-(dimethylamino)ethyl)-2-thiopheneacetonitrile hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-(4-Chlorobutyl)-alpha-(2-(dimethylamino)ethyl)-2-thiopheneacetonitrile hydrochloride has 0 hydrogen bond donor(s) and 3 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 alpha-(4-Chlorobutyl)-alpha-(2-(dimethylamino)ethyl)-2-thiopheneacetonitrile hydrochloride?
The CAS number of alpha-(4-Chlorobutyl)-alpha-(2-(dimethylamino)ethyl)-2-thiopheneacetonitrile hydrochloride is 58562-66-6.
What is the molecular formula of alpha-(4-Chlorobutyl)-alpha-(2-(dimethylamino)ethyl)-2-thiopheneacetonitrile hydrochloride?
The molecular formula of alpha-(4-Chlorobutyl)-alpha-(2-(dimethylamino)ethyl)-2-thiopheneacetonitrile hydrochloride is C14H22Cl2N2S.
What is the molecular weight of alpha-(4-Chlorobutyl)-alpha-(2-(dimethylamino)ethyl)-2-thiopheneacetonitrile hydrochloride?
The molecular weight of alpha-(4-Chlorobutyl)-alpha-(2-(dimethylamino)ethyl)-2-thiopheneacetonitrile hydrochloride is 320.09 g/mol.
Where can I buy alpha-(4-Chlorobutyl)-alpha-(2-(dimethylamino)ethyl)-2-thiopheneacetonitrile hydrochloride?
You can request a quote for alpha-(4-Chlorobutyl)-alpha-(2-(dimethylamino)ethyl)-2-thiopheneacetonitrile hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-(4-Chlorobutyl)-alpha-(2-(dimethylamino)ethyl)-2-thiopheneacetonitrile hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for alpha-(4-Chlorobutyl)-alpha-(2-(dimethylamino)ethyl)-2-thiopheneacetonitrile hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.