2-(2-Dimethylaminoethyl)-4-methylsulfanyl-2-phenylbutanenitrile
TL;DR: 2-(2-Dimethylaminoethyl)-4-methylsulfanyl-2-phenylbutanenitrile (CAS 90207-18-4) is a chemical compound with molecular formula C15H22N2S and molecular weight 262.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(dimethylamino)ethyl]-4-methylsulfanyl-2-phenylbutanenitrile
Also Known As: 2-(2-dimethylaminoethyl)-4-methylsulfanyl-2-phenylbutanenitrile, 2-[2-(dimethylamino)ethyl]-4-methylsulfanyl-2-phenylbutaneni, 2-[2-(Dimethylamino)ethyl]-4-(methylsulfanyl)-2-phenylbutanenitrile, RefChem:250639
| Molecular Formula | C15H22N2S |
|---|---|
| Molecular Weight | 262.15 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 262.15036 |
| Heavy Atoms | 18 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 90207-18-4 |
|---|---|
| SMILES | CN(C)CCC(CCSC)(C#N)C1=CC=CC=C1 |
| InChIKey | RKXNRXNFQIGYCM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(2-Dimethylaminoethyl)-4-methylsulfanyl-2-phenylbutanenitrile (CAS 90207-18-4), with molecular formula C15H22N2S and molecular weight 262.15 g/mol. IUPAC: 2-[2-(dimethylamino)ethyl]-4-methylsulfanyl-2-phenylbutanenitrile.
Chemical Property Profile of 2-(2-Dimethylaminoethyl)-4-methylsulfanyl-2-phenylbutanenitrile
Property Insights of 2-(2-Dimethylaminoethyl)-4-methylsulfanyl-2-phenylbutanenitrile
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Dimethylaminoethyl)-4-methylsulfanyl-2-phenylbutanenitrile. With a topological polar surface area (TPSA) of 52.3 Ų, 2-(2-Dimethylaminoethyl)-4-methylsulfanyl-2-phenylbutanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Dimethylaminoethyl)-4-methylsulfanyl-2-phenylbutanenitrile 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 2-(2-Dimethylaminoethyl)-4-methylsulfanyl-2-phenylbutanenitrile?
The CAS number of 2-(2-Dimethylaminoethyl)-4-methylsulfanyl-2-phenylbutanenitrile is 90207-18-4.
What is the molecular formula of 2-(2-Dimethylaminoethyl)-4-methylsulfanyl-2-phenylbutanenitrile?
The molecular formula of 2-(2-Dimethylaminoethyl)-4-methylsulfanyl-2-phenylbutanenitrile is C15H22N2S.
What is the molecular weight of 2-(2-Dimethylaminoethyl)-4-methylsulfanyl-2-phenylbutanenitrile?
The molecular weight of 2-(2-Dimethylaminoethyl)-4-methylsulfanyl-2-phenylbutanenitrile is 262.15 g/mol.
Where can I buy 2-(2-Dimethylaminoethyl)-4-methylsulfanyl-2-phenylbutanenitrile?
You can request a quote for 2-(2-Dimethylaminoethyl)-4-methylsulfanyl-2-phenylbutanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Dimethylaminoethyl)-4-methylsulfanyl-2-phenylbutanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Dimethylaminoethyl)-4-methylsulfanyl-2-phenylbutanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.