alpha-(2-Phenylthioethyl)-alpha-(3-dimethylaminopropyl)phenylacetonitrile hydrochloride
TL;DR: alpha-(2-Phenylthioethyl)-alpha-(3-dimethylaminopropyl)phenylacetonitrile hydrochloride (CAS 41932-68-7) is a chemical compound with molecular formula C21H27ClN2S and molecular weight 374.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(dimethylamino)-2-phenyl-2-(2-phenylsulfanylethyl)pentanenitrile;hydrochloride
Also Known As: alpha-(2-Phenylthioethyl)-alpha-(3-dimethylaminopropyl)phenylacetonitrile hydrochloride, alpha-(3-(Dimethylamino)propyl)-alpha-(2-(phenylthio)ethyl)benzeneacetonitrile hydrochloride, Benzeneacetonitrile, alpha-(3-(dimethylamino)propyl)-alpha-(2-(phenylthio)ethyl)-, monohydrochloride, 5-(dimethylamino)-2-phenyl-2-(2-phenylsulfanylethyl)pentanenitrile hydrochloride, 5-(Dimethylamino)-2-phenyl-2-[2-(phenylsulfanyl)ethyl]pentanenitrile--hydrogen chloride (1/1)
| Molecular Formula | C21H27ClN2S |
|---|---|
| Molecular Weight | 374.16 g/mol |
| LogP | 5.39398 |
| Topological Polar Surface Area | 27.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 374.15836 |
| Heavy Atoms | 25 |
| Complexity | 639.95056 |
Chemical Identifiers
| CAS Number | 41932-68-7 |
|---|---|
| SMILES | CN(C)CCCC(CCSC1=CC=CC=C1)(C#N)C2=CC=CC=C2.Cl |
Product Overview
alpha-(2-Phenylthioethyl)-alpha-(3-dimethylaminopropyl)phenylacetonitrile hydrochloride (CAS 41932-68-7), with molecular formula C21H27ClN2S and molecular weight 374.16 g/mol. IUPAC: 5-(dimethylamino)-2-phenyl-2-(2-phenylsulfanylethyl)pentanenitrile;hydrochloride.
Chemical Property Profile of alpha-(2-Phenylthioethyl)-alpha-(3-dimethylaminopropyl)phenylacetonitrile hydrochloride
Property Insights of alpha-(2-Phenylthioethyl)-alpha-(3-dimethylaminopropyl)phenylacetonitrile hydrochloride
The XLogP value of 5.39398 indicates that alpha-(2-Phenylthioethyl)-alpha-(3-dimethylaminopropyl)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-(3-dimethylaminopropyl)phenylacetonitrile hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-(2-Phenylthioethyl)-alpha-(3-dimethylaminopropyl)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-(3-dimethylaminopropyl)phenylacetonitrile hydrochloride?
The CAS number of alpha-(2-Phenylthioethyl)-alpha-(3-dimethylaminopropyl)phenylacetonitrile hydrochloride is 41932-68-7.
What is the molecular formula of alpha-(2-Phenylthioethyl)-alpha-(3-dimethylaminopropyl)phenylacetonitrile hydrochloride?
The molecular formula of alpha-(2-Phenylthioethyl)-alpha-(3-dimethylaminopropyl)phenylacetonitrile hydrochloride is C21H27ClN2S.
What is the molecular weight of alpha-(2-Phenylthioethyl)-alpha-(3-dimethylaminopropyl)phenylacetonitrile hydrochloride?
The molecular weight of alpha-(2-Phenylthioethyl)-alpha-(3-dimethylaminopropyl)phenylacetonitrile hydrochloride is 374.16 g/mol.
Where can I buy alpha-(2-Phenylthioethyl)-alpha-(3-dimethylaminopropyl)phenylacetonitrile hydrochloride?
You can request a quote for alpha-(2-Phenylthioethyl)-alpha-(3-dimethylaminopropyl)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-(3-dimethylaminopropyl)phenylacetonitrile hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for alpha-(2-Phenylthioethyl)-alpha-(3-dimethylaminopropyl)phenylacetonitrile hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.