4-Fluorobenzylsulfonylacetonitrile
TL;DR: 4-Fluorobenzylsulfonylacetonitrile (CAS 175276-84-3) is a chemical compound with molecular formula C9H8FNO2S and molecular weight 213.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-fluorophenyl)methylsulfonyl]acetonitrile
Also Known As: 4-Fluorobenzylsulfonylacetonitrile, 4-Fluorobenzylsulphonylacetonitrile, 2-((4-Fluorobenzyl)sulfonyl)acetonitrile, Maybridge1_008562, 2-[(4-fluorophenyl)methylsulfonyl]acetonitrile
| Molecular Formula | C9H8FNO2S |
|---|---|
| Molecular Weight | 213.03 g/mol |
| LogP | 1.26408 |
| Topological Polar Surface Area | 57.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 213.02597 |
| Heavy Atoms | 14 |
| Complexity | 444.69547 |
Chemical Identifiers
| CAS Number | 175276-84-3 |
|---|---|
| SMILES | C1=CC(=CC=C1CS(=O)(=O)CC#N)F |
Product Overview
4-Fluorobenzylsulfonylacetonitrile (CAS 175276-84-3), with molecular formula C9H8FNO2S and molecular weight 213.03 g/mol. IUPAC: 2-[(4-fluorophenyl)methylsulfonyl]acetonitrile.
Chemical Property Profile of 4-Fluorobenzylsulfonylacetonitrile
Property Insights of 4-Fluorobenzylsulfonylacetonitrile
The XLogP value of 1.26408 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Fluorobenzylsulfonylacetonitrile. With a topological polar surface area (TPSA) of 57.93 Ų, 4-Fluorobenzylsulfonylacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Fluorobenzylsulfonylacetonitrile 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-Fluorobenzylsulfonylacetonitrile?
The CAS number of 4-Fluorobenzylsulfonylacetonitrile is 175276-84-3.
What is the molecular formula of 4-Fluorobenzylsulfonylacetonitrile?
The molecular formula of 4-Fluorobenzylsulfonylacetonitrile is C9H8FNO2S.
What is the molecular weight of 4-Fluorobenzylsulfonylacetonitrile?
The molecular weight of 4-Fluorobenzylsulfonylacetonitrile is 213.03 g/mol.
Where can I buy 4-Fluorobenzylsulfonylacetonitrile?
You can request a quote for 4-Fluorobenzylsulfonylacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Fluorobenzylsulfonylacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Fluorobenzylsulfonylacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.