![2-[(2,4-Dichlorophenyl)sulfonyl]acetonitrile structure](/static/products/874/87475-64-7.png)
2-[(2,4-Dichlorophenyl)sulfonyl]acetonitrile
TL;DR: 2-[(2,4-Dichlorophenyl)sulfonyl]acetonitrile (CAS 87475-64-7) is a chemical compound with molecular formula C8H5Cl2NO2S and molecular weight 248.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,4-dichlorophenyl)sulfonylacetonitrile
Also Known As: 2-[(2,4-Dichlorophenyl)sulfonyl]acetonitrile, 2,4-Dichlorobenzenesulphonylacetonitrile, Maybridge1_004896, 2-(2,4-dichlorophenyl)sulfonylacetonitrile, 2-((2,4-Dichlorophenyl)sulfonyl)acetonitrile
| Molecular Formula | C8H5Cl2NO2S |
|---|---|
| Molecular Weight | 248.94 g/mol |
| LogP | 2.29068 |
| Topological Polar Surface Area | 57.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 248.9418 |
| Heavy Atoms | 14 |
| Complexity | 490.553 |
Chemical Identifiers
| CAS Number | 87475-64-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)Cl)S(=O)(=O)CC#N |
Product Overview
2-[(2,4-Dichlorophenyl)sulfonyl]acetonitrile (CAS 87475-64-7), with molecular formula C8H5Cl2NO2S and molecular weight 248.94 g/mol. IUPAC: 2-(2,4-dichlorophenyl)sulfonylacetonitrile.
Chemical Property Profile of 2-[(2,4-Dichlorophenyl)sulfonyl]acetonitrile
Property Insights of 2-[(2,4-Dichlorophenyl)sulfonyl]acetonitrile
The XLogP value of 2.29068 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(2,4-Dichlorophenyl)sulfonyl]acetonitrile. With a topological polar surface area (TPSA) of 57.93 Ų, 2-[(2,4-Dichlorophenyl)sulfonyl]acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(2,4-Dichlorophenyl)sulfonyl]acetonitrile 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-[(2,4-Dichlorophenyl)sulfonyl]acetonitrile?
The CAS number of 2-[(2,4-Dichlorophenyl)sulfonyl]acetonitrile is 87475-64-7.
What is the molecular formula of 2-[(2,4-Dichlorophenyl)sulfonyl]acetonitrile?
The molecular formula of 2-[(2,4-Dichlorophenyl)sulfonyl]acetonitrile is C8H5Cl2NO2S.
What is the molecular weight of 2-[(2,4-Dichlorophenyl)sulfonyl]acetonitrile?
The molecular weight of 2-[(2,4-Dichlorophenyl)sulfonyl]acetonitrile is 248.94 g/mol.
Where can I buy 2-[(2,4-Dichlorophenyl)sulfonyl]acetonitrile?
You can request a quote for 2-[(2,4-Dichlorophenyl)sulfonyl]acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(2,4-Dichlorophenyl)sulfonyl]acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2,4-Dichlorophenyl)sulfonyl]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.