![4-{3-[(4-Fluorophenyl)sulfonyl]-2-hydroxypropoxy}benzenecarbonitrile structure](/static/products/4780/478079-84-4.webp)
4-{3-[(4-Fluorophenyl)sulfonyl]-2-hydroxypropoxy}benzenecarbonitrile
TL;DR: 4-{3-[(4-Fluorophenyl)sulfonyl]-2-hydroxypropoxy}benzenecarbonitrile (CAS 478079-84-4) is a chemical compound with molecular formula C16H14FNO4S and molecular weight 335.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(4-fluorophenyl)sulfonyl-2-hydroxypropoxy]benzonitrile
Also Known As: 4-{3-[(4-fluorophenyl)sulfonyl]-2-hydroxypropoxy}benzenecarbonitrile, 4-[3-(4-fluorobenzenesulfonyl)-2-hydroxypropoxy]benzonitrile, 4-[3-(4-fluorophenyl)sulfonyl-2-hydroxypropoxy]benzonitrile, 4-[3-(4-fluorophenyl)sulfonyl-2-hydroxy-propoxy]benzonitrile, 4-{3-(4-Fluorophenyl)sulfonyl-2-hydroxypropoxy}benzenecarbonitrile
| Molecular Formula | C16H14FNO4S |
|---|---|
| Molecular Weight | 335.06 g/mol |
| LogP | 1.91098 |
| Topological Polar Surface Area | 87.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 335.06274 |
| Heavy Atoms | 23 |
| Complexity | 795.46906 |
Chemical Identifiers
| CAS Number | 478079-84-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C#N)OCC(CS(=O)(=O)C2=CC=C(C=C2)F)O |
Product Overview
4-{3-[(4-Fluorophenyl)sulfonyl]-2-hydroxypropoxy}benzenecarbonitrile (CAS 478079-84-4), with molecular formula C16H14FNO4S and molecular weight 335.06 g/mol. IUPAC: 4-[3-(4-fluorophenyl)sulfonyl-2-hydroxypropoxy]benzonitrile.
Chemical Property Profile of 4-{3-[(4-Fluorophenyl)sulfonyl]-2-hydroxypropoxy}benzenecarbonitrile
Property Insights of 4-{3-[(4-Fluorophenyl)sulfonyl]-2-hydroxypropoxy}benzenecarbonitrile
The XLogP value of 1.91098 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{3-[(4-Fluorophenyl)sulfonyl]-2-hydroxypropoxy}benzenecarbonitrile. The TPSA of 87.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{3-[(4-Fluorophenyl)sulfonyl]-2-hydroxypropoxy}benzenecarbonitrile. Following Lipinski's Rule of Five, 4-{3-[(4-Fluorophenyl)sulfonyl]-2-hydroxypropoxy}benzenecarbonitrile has 1 hydrogen bond donor(s) and 5 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-{3-[(4-Fluorophenyl)sulfonyl]-2-hydroxypropoxy}benzenecarbonitrile?
The CAS number of 4-{3-[(4-Fluorophenyl)sulfonyl]-2-hydroxypropoxy}benzenecarbonitrile is 478079-84-4.
What is the molecular formula of 4-{3-[(4-Fluorophenyl)sulfonyl]-2-hydroxypropoxy}benzenecarbonitrile?
The molecular formula of 4-{3-[(4-Fluorophenyl)sulfonyl]-2-hydroxypropoxy}benzenecarbonitrile is C16H14FNO4S.
What is the molecular weight of 4-{3-[(4-Fluorophenyl)sulfonyl]-2-hydroxypropoxy}benzenecarbonitrile?
The molecular weight of 4-{3-[(4-Fluorophenyl)sulfonyl]-2-hydroxypropoxy}benzenecarbonitrile is 335.06 g/mol.
Where can I buy 4-{3-[(4-Fluorophenyl)sulfonyl]-2-hydroxypropoxy}benzenecarbonitrile?
You can request a quote for 4-{3-[(4-Fluorophenyl)sulfonyl]-2-hydroxypropoxy}benzenecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{3-[(4-Fluorophenyl)sulfonyl]-2-hydroxypropoxy}benzenecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-{3-[(4-Fluorophenyl)sulfonyl]-2-hydroxypropoxy}benzenecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.