![2-[[(4-Chlorophenyl)methyl]sulfonyl]acetonitrile structure](/static/products/1751/175137-57-2.webp)
2-[[(4-Chlorophenyl)methyl]sulfonyl]acetonitrile
TL;DR: 2-[[(4-Chlorophenyl)methyl]sulfonyl]acetonitrile (CAS 175137-57-2) is a chemical compound with molecular formula C9H8ClNO2S and molecular weight 229.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chlorophenyl)methylsulfonyl]acetonitrile
Also Known As: 2-[(4-Chlorobenzyl)sulfonyl]acetonitrile, METOSERPATE, Maybridge1_004637, 2-[(4-chlorophenyl)methylsulfonyl]acetonitrile, 2-((4-Chlorobenzyl)sulfonyl)acetonitrile
| Molecular Formula | C9H8ClNO2S |
|---|---|
| Molecular Weight | 229.00 g/mol |
| LogP | 1.77838 |
| Topological Polar Surface Area | 57.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 228.99643 |
| Heavy Atoms | 14 |
| Complexity | 444.69547 |
Chemical Identifiers
| CAS Number | 175137-57-2 |
|---|---|
| SMILES | C1=CC(=CC=C1CS(=O)(=O)CC#N)Cl |
Product Overview
2-[[(4-Chlorophenyl)methyl]sulfonyl]acetonitrile (CAS 175137-57-2), with molecular formula C9H8ClNO2S and molecular weight 229.00 g/mol. IUPAC: 2-[(4-chlorophenyl)methylsulfonyl]acetonitrile.
Chemical Property Profile of 2-[[(4-Chlorophenyl)methyl]sulfonyl]acetonitrile
Property Insights of 2-[[(4-Chlorophenyl)methyl]sulfonyl]acetonitrile
The XLogP value of 1.77838 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[[(4-Chlorophenyl)methyl]sulfonyl]acetonitrile. With a topological polar surface area (TPSA) of 57.93 Ų, 2-[[(4-Chlorophenyl)methyl]sulfonyl]acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[[(4-Chlorophenyl)methyl]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-[[(4-Chlorophenyl)methyl]sulfonyl]acetonitrile?
The CAS number of 2-[[(4-Chlorophenyl)methyl]sulfonyl]acetonitrile is 175137-57-2.
What is the molecular formula of 2-[[(4-Chlorophenyl)methyl]sulfonyl]acetonitrile?
The molecular formula of 2-[[(4-Chlorophenyl)methyl]sulfonyl]acetonitrile is C9H8ClNO2S.
What is the molecular weight of 2-[[(4-Chlorophenyl)methyl]sulfonyl]acetonitrile?
The molecular weight of 2-[[(4-Chlorophenyl)methyl]sulfonyl]acetonitrile is 229.00 g/mol.
Where can I buy 2-[[(4-Chlorophenyl)methyl]sulfonyl]acetonitrile?
You can request a quote for 2-[[(4-Chlorophenyl)methyl]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-[[(4-Chlorophenyl)methyl]sulfonyl]acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[[(4-Chlorophenyl)methyl]sulfonyl]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.