alpha-(2-Phenylthioethyl)-alpha-(2-diethylaminoethyl)phenylacetonitrile hydrochloride
TL;DR: alpha-(2-Phenylthioethyl)-alpha-(2-diethylaminoethyl)phenylacetonitrile hydrochloride (CAS 41932-66-5) is a chemical compound with molecular formula C22H29ClN2S and molecular weight 388.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(diethylamino)ethyl]-2-phenyl-4-phenylsulfanylbutanenitrile;hydrochloride
Also Known As: alpha-(2-Phenylthioethyl)-alpha-(2-diethylaminoethyl)phenylacetonitrile hydrochloride, alpha-(2-(Diethylamino)ethyl)-alpha-(2-(phenylthio)ethyl)benzeneacetonitrile hydrochloride, Benzeneacetonitrile, alpha-(2-(diethylamino)ethyl)-alpha-(2-(phenylthio)ethyl)-, monohydrochloride, 2-(2-diethylaminoethyl)-2-phenyl-4-phenylsulfanylbutanenitrile hydrochloride, 2-[2-(Diethylamino)ethyl]-2-phenyl-4-(phenylsulfanyl)butanenitrile--hydrogen chloride (1/1)
| Molecular Formula | C22H29ClN2S |
|---|---|
| Molecular Weight | 388.17 g/mol |
| LogP | 5.78408 |
| Topological Polar Surface Area | 27.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 388.174 |
| Heavy Atoms | 26 |
| Complexity | 652.8474 |
Chemical Identifiers
| CAS Number | 41932-66-5 |
|---|---|
| SMILES | CCN(CC)CCC(CCSC1=CC=CC=C1)(C#N)C2=CC=CC=C2.Cl |
Product Overview
alpha-(2-Phenylthioethyl)-alpha-(2-diethylaminoethyl)phenylacetonitrile hydrochloride (CAS 41932-66-5), with molecular formula C22H29ClN2S and molecular weight 388.17 g/mol. IUPAC: 2-[2-(diethylamino)ethyl]-2-phenyl-4-phenylsulfanylbutanenitrile;hydrochloride.
Chemical Property Profile of alpha-(2-Phenylthioethyl)-alpha-(2-diethylaminoethyl)phenylacetonitrile hydrochloride
Property Insights of alpha-(2-Phenylthioethyl)-alpha-(2-diethylaminoethyl)phenylacetonitrile hydrochloride
The XLogP value of 5.78408 indicates that alpha-(2-Phenylthioethyl)-alpha-(2-diethylaminoethyl)phenylacetonitrile 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-(2-Phenylthioethyl)-alpha-(2-diethylaminoethyl)phenylacetonitrile hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-(2-Phenylthioethyl)-alpha-(2-diethylaminoethyl)phenylacetonitrile hydrochloride has 0 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 alpha-(2-Phenylthioethyl)-alpha-(2-diethylaminoethyl)phenylacetonitrile hydrochloride?
The CAS number of alpha-(2-Phenylthioethyl)-alpha-(2-diethylaminoethyl)phenylacetonitrile hydrochloride is 41932-66-5.
What is the molecular formula of alpha-(2-Phenylthioethyl)-alpha-(2-diethylaminoethyl)phenylacetonitrile hydrochloride?
The molecular formula of alpha-(2-Phenylthioethyl)-alpha-(2-diethylaminoethyl)phenylacetonitrile hydrochloride is C22H29ClN2S.
What is the molecular weight of alpha-(2-Phenylthioethyl)-alpha-(2-diethylaminoethyl)phenylacetonitrile hydrochloride?
The molecular weight of alpha-(2-Phenylthioethyl)-alpha-(2-diethylaminoethyl)phenylacetonitrile hydrochloride is 388.17 g/mol.
Where can I buy alpha-(2-Phenylthioethyl)-alpha-(2-diethylaminoethyl)phenylacetonitrile hydrochloride?
You can request a quote for alpha-(2-Phenylthioethyl)-alpha-(2-diethylaminoethyl)phenylacetonitrile hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-(2-Phenylthioethyl)-alpha-(2-diethylaminoethyl)phenylacetonitrile hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for alpha-(2-Phenylthioethyl)-alpha-(2-diethylaminoethyl)phenylacetonitrile hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.