4-(Benzenesulfonyl)but-2-enenitrile
TL;DR: 4-(Benzenesulfonyl)but-2-enenitrile (CAS 133167-32-5) is a chemical compound with molecular formula C10H9NO2S and molecular weight 207.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(benzenesulfonyl)but-2-enenitrile
Also Known As: 4-(benzenesulfonyl)but-2-enenitrile, 4-(phenylsulfonyl)-2-butenenitrile
| Molecular Formula | C10H9NO2S |
|---|---|
| Molecular Weight | 207.04 g/mol |
| LogP | 1.54008 |
| Topological Polar Surface Area | 57.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 207.0354 |
| Heavy Atoms | 14 |
| Complexity | 454.64542 |
Chemical Identifiers
| CAS Number | 133167-32-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)CC=CC#N |
Product Overview
4-(Benzenesulfonyl)but-2-enenitrile (CAS 133167-32-5), with molecular formula C10H9NO2S and molecular weight 207.04 g/mol. IUPAC: 4-(benzenesulfonyl)but-2-enenitrile.
Chemical Property Profile of 4-(Benzenesulfonyl)but-2-enenitrile
Property Insights of 4-(Benzenesulfonyl)but-2-enenitrile
The XLogP value of 1.54008 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Benzenesulfonyl)but-2-enenitrile. With a topological polar surface area (TPSA) of 57.93 Ų, 4-(Benzenesulfonyl)but-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Benzenesulfonyl)but-2-enenitrile 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)but-2-enenitrile?
The CAS number of 4-(Benzenesulfonyl)but-2-enenitrile is 133167-32-5.
What is the molecular formula of 4-(Benzenesulfonyl)but-2-enenitrile?
The molecular formula of 4-(Benzenesulfonyl)but-2-enenitrile is C10H9NO2S.
What is the molecular weight of 4-(Benzenesulfonyl)but-2-enenitrile?
The molecular weight of 4-(Benzenesulfonyl)but-2-enenitrile is 207.04 g/mol.
Where can I buy 4-(Benzenesulfonyl)but-2-enenitrile?
You can request a quote for 4-(Benzenesulfonyl)but-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Benzenesulfonyl)but-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(Benzenesulfonyl)but-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.