4-(Benzenesulfonyl)-2-phenylbutanenitrile
TL;DR: 4-(Benzenesulfonyl)-2-phenylbutanenitrile (CAS 41932-79-0) is a chemical compound with molecular formula C16H15NO2S and molecular weight 285.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(benzenesulfonyl)-2-phenylbutanenitrile
Also Known As: 1-Phenyl-4-(benzenesulfonyl)butyronitrile, 4-(benzenesulfonyl)-2-phenylbutanenitrile, alpha-(2-(Phenylsulfonyl)ethyl)benzeneacetonitrile, Benzeneacetonitrile, alpha-(2-(phenylsulfonyl)ethyl)-, RefChem:1070037
| Molecular Formula | C16H15NO2S |
|---|---|
| Molecular Weight | 285.08 g/mol |
| LogP | 3.15778 |
| Topological Polar Surface Area | 57.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 285.08234 |
| Heavy Atoms | 20 |
| Complexity | 688.26166 |
Chemical Identifiers
| CAS Number | 41932-79-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(CCS(=O)(=O)C2=CC=CC=C2)C#N |
Product Overview
4-(Benzenesulfonyl)-2-phenylbutanenitrile (CAS 41932-79-0), with molecular formula C16H15NO2S and molecular weight 285.08 g/mol. IUPAC: 4-(benzenesulfonyl)-2-phenylbutanenitrile.
Chemical Property Profile of 4-(Benzenesulfonyl)-2-phenylbutanenitrile
Property Insights of 4-(Benzenesulfonyl)-2-phenylbutanenitrile
The XLogP value of 3.15778 indicates that 4-(Benzenesulfonyl)-2-phenylbutanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.93 Ų, 4-(Benzenesulfonyl)-2-phenylbutanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Benzenesulfonyl)-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 4-(Benzenesulfonyl)-2-phenylbutanenitrile?
The CAS number of 4-(Benzenesulfonyl)-2-phenylbutanenitrile is 41932-79-0.
What is the molecular formula of 4-(Benzenesulfonyl)-2-phenylbutanenitrile?
The molecular formula of 4-(Benzenesulfonyl)-2-phenylbutanenitrile is C16H15NO2S.
What is the molecular weight of 4-(Benzenesulfonyl)-2-phenylbutanenitrile?
The molecular weight of 4-(Benzenesulfonyl)-2-phenylbutanenitrile is 285.08 g/mol.
Where can I buy 4-(Benzenesulfonyl)-2-phenylbutanenitrile?
You can request a quote for 4-(Benzenesulfonyl)-2-phenylbutanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Benzenesulfonyl)-2-phenylbutanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(Benzenesulfonyl)-2-phenylbutanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.