2,3-Dichloro-3-phenylsulphonyl-acrylonitrile
TL;DR: 2,3-Dichloro-3-phenylsulphonyl-acrylonitrile (CAS 83285-27-2) is a chemical compound with molecular formula C9H5Cl2NO2S and molecular weight 260.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(benzenesulfonyl)-2,3-dichloroprop-2-enenitrile
Also Known As: Phenyl-(1,2-dichloro-2-cyan-vinyl)sulfon, 2,3-Dichloro-3-phenylsulphonyl-acrylonitrile, 3-(benzenesulfonyl)-2,3-dichloroprop-2-enenitrile, (E)-3-(benzenesulfonyl)-2,3-dichloro-prop-2-enenitrile, (2E)-3-(BENZENESULFONYL)-2,3-DICHLOROPROP-2-ENENITRILE
| Molecular Formula | C9H5Cl2NO2S |
|---|---|
| Molecular Weight | 260.94 g/mol |
| LogP | 2.63058 |
| Topological Polar Surface Area | 57.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 260.9418 |
| Heavy Atoms | 15 |
| Complexity | 528.98083 |
Chemical Identifiers
| CAS Number | 83285-27-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)C(=C(C#N)Cl)Cl |
Product Overview
2,3-Dichloro-3-phenylsulphonyl-acrylonitrile (CAS 83285-27-2), with molecular formula C9H5Cl2NO2S and molecular weight 260.94 g/mol. IUPAC: 3-(benzenesulfonyl)-2,3-dichloroprop-2-enenitrile.
Chemical Property Profile of 2,3-Dichloro-3-phenylsulphonyl-acrylonitrile
Property Insights of 2,3-Dichloro-3-phenylsulphonyl-acrylonitrile
The XLogP value of 2.63058 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Dichloro-3-phenylsulphonyl-acrylonitrile. With a topological polar surface area (TPSA) of 57.93 Ų, 2,3-Dichloro-3-phenylsulphonyl-acrylonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Dichloro-3-phenylsulphonyl-acrylonitrile 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 2,3-Dichloro-3-phenylsulphonyl-acrylonitrile?
The CAS number of 2,3-Dichloro-3-phenylsulphonyl-acrylonitrile is 83285-27-2.
What is the molecular formula of 2,3-Dichloro-3-phenylsulphonyl-acrylonitrile?
The molecular formula of 2,3-Dichloro-3-phenylsulphonyl-acrylonitrile is C9H5Cl2NO2S.
What is the molecular weight of 2,3-Dichloro-3-phenylsulphonyl-acrylonitrile?
The molecular weight of 2,3-Dichloro-3-phenylsulphonyl-acrylonitrile is 260.94 g/mol.
Where can I buy 2,3-Dichloro-3-phenylsulphonyl-acrylonitrile?
You can request a quote for 2,3-Dichloro-3-phenylsulphonyl-acrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dichloro-3-phenylsulphonyl-acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dichloro-3-phenylsulphonyl-acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.