2-Thiopheneacetonitrile, alpha-(3-chloropropyl)-alpha-(2-(dipropylamino)ethyl)-
TL;DR: 2-Thiopheneacetonitrile, alpha-(3-chloropropyl)-alpha-(2-(dipropylamino)ethyl)- (CAS 58562-92-8) is a chemical compound with molecular formula C17H27ClN2S and molecular weight 326.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-2-[2-(dipropylamino)ethyl]-2-thiophen-2-ylpentanenitrile
Also Known As: alpha-(3-Chloropropyl)-alpha-(2-(dipropylamino)ethyl)-2-thiopheneacetonitrile, 2-Thiopheneacetonitrile, alpha-(3-chloropropyl)-alpha-(2-(dipropylamino)ethyl)-, 5-Chloro-2-[2-(dipropylamino)ethyl]-2-(thiophen-2-yl)pentanenitrile, 5-chloro-2-[2-(dipropylamino)ethyl]-2-thiophen-2-ylpentanenitrile, alpha-(3-chloropropyl)-alpha-[2-(dipropylamino)ethyl ]-2-thiopheneacetonitrile
| Molecular Formula | C17H27ClN2S |
|---|---|
| Molecular Weight | 326.16 g/mol |
| LogP | 5.04058 |
| Topological Polar Surface Area | 27.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 326.15836 |
| Heavy Atoms | 21 |
| Complexity | 406.92465 |
Chemical Identifiers
| CAS Number | 58562-92-8 |
|---|---|
| SMILES | CCCN(CCC)CCC(CCCCl)(C#N)C1=CC=CS1 |
Product Overview
2-Thiopheneacetonitrile, alpha-(3-chloropropyl)-alpha-(2-(dipropylamino)ethyl)- (CAS 58562-92-8), with molecular formula C17H27ClN2S and molecular weight 326.16 g/mol. IUPAC: 5-chloro-2-[2-(dipropylamino)ethyl]-2-thiophen-2-ylpentanenitrile.
Chemical Property Profile of 2-Thiopheneacetonitrile, alpha-(3-chloropropyl)-alpha-(2-(dipropylamino)ethyl)-
Property Insights of 2-Thiopheneacetonitrile, alpha-(3-chloropropyl)-alpha-(2-(dipropylamino)ethyl)-
The XLogP value of 5.04058 indicates that 2-Thiopheneacetonitrile, alpha-(3-chloropropyl)-alpha-(2-(dipropylamino)ethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.03 Ų, 2-Thiopheneacetonitrile, alpha-(3-chloropropyl)-alpha-(2-(dipropylamino)ethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Thiopheneacetonitrile, alpha-(3-chloropropyl)-alpha-(2-(dipropylamino)ethyl)- 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 2-Thiopheneacetonitrile, alpha-(3-chloropropyl)-alpha-(2-(dipropylamino)ethyl)-?
The CAS number of 2-Thiopheneacetonitrile, alpha-(3-chloropropyl)-alpha-(2-(dipropylamino)ethyl)- is 58562-92-8.
What is the molecular formula of 2-Thiopheneacetonitrile, alpha-(3-chloropropyl)-alpha-(2-(dipropylamino)ethyl)-?
The molecular formula of 2-Thiopheneacetonitrile, alpha-(3-chloropropyl)-alpha-(2-(dipropylamino)ethyl)- is C17H27ClN2S.
What is the molecular weight of 2-Thiopheneacetonitrile, alpha-(3-chloropropyl)-alpha-(2-(dipropylamino)ethyl)-?
The molecular weight of 2-Thiopheneacetonitrile, alpha-(3-chloropropyl)-alpha-(2-(dipropylamino)ethyl)- is 326.16 g/mol.
Where can I buy 2-Thiopheneacetonitrile, alpha-(3-chloropropyl)-alpha-(2-(dipropylamino)ethyl)-?
You can request a quote for 2-Thiopheneacetonitrile, alpha-(3-chloropropyl)-alpha-(2-(dipropylamino)ethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Thiopheneacetonitrile, alpha-(3-chloropropyl)-alpha-(2-(dipropylamino)ethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Thiopheneacetonitrile, alpha-(3-chloropropyl)-alpha-(2-(dipropylamino)ethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.