![4-{2-Hydroxy-3-[(4-methylphenyl)sulfonyl]propoxy}benzenecarbonitrile structure](/static/products/4780/478079-81-1.webp)
4-{2-Hydroxy-3-[(4-methylphenyl)sulfonyl]propoxy}benzenecarbonitrile
TL;DR: 4-{2-Hydroxy-3-[(4-methylphenyl)sulfonyl]propoxy}benzenecarbonitrile (CAS 478079-81-1) is a chemical compound with molecular formula C17H17NO4S and molecular weight 331.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-hydroxy-3-(4-methylphenyl)sulfonylpropoxy]benzonitrile
Also Known As: 4-{2-hydroxy-3-[(4-methylphenyl)sulfonyl]propoxy}benzenecarbonitrile, 4-[2-hydroxy-3-(4-methylbenzenesulfonyl)propoxy]benzonitrile, 4-[2-hydroxy-3-(4-methylphenyl)sulfonylpropoxy]benzonitrile, 4-[2-hydroxy-3-(p-tolylsulfonyl)propoxy]benzonitrile
| Molecular Formula | C17H17NO4S |
|---|---|
| Molecular Weight | 331.09 g/mol |
| LogP | 2.0803 |
| Topological Polar Surface Area | 87.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 331.08783 |
| Heavy Atoms | 23 |
| Complexity | 789.9822 |
Chemical Identifiers
| CAS Number | 478079-81-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)CC(COC2=CC=C(C=C2)C#N)O |
Product Overview
4-{2-Hydroxy-3-[(4-methylphenyl)sulfonyl]propoxy}benzenecarbonitrile (CAS 478079-81-1), with molecular formula C17H17NO4S and molecular weight 331.09 g/mol. IUPAC: 4-[2-hydroxy-3-(4-methylphenyl)sulfonylpropoxy]benzonitrile.
Chemical Property Profile of 4-{2-Hydroxy-3-[(4-methylphenyl)sulfonyl]propoxy}benzenecarbonitrile
Property Insights of 4-{2-Hydroxy-3-[(4-methylphenyl)sulfonyl]propoxy}benzenecarbonitrile
The XLogP value of 2.0803 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{2-Hydroxy-3-[(4-methylphenyl)sulfonyl]propoxy}benzenecarbonitrile. The TPSA of 87.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{2-Hydroxy-3-[(4-methylphenyl)sulfonyl]propoxy}benzenecarbonitrile. Following Lipinski's Rule of Five, 4-{2-Hydroxy-3-[(4-methylphenyl)sulfonyl]propoxy}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-{2-Hydroxy-3-[(4-methylphenyl)sulfonyl]propoxy}benzenecarbonitrile?
The CAS number of 4-{2-Hydroxy-3-[(4-methylphenyl)sulfonyl]propoxy}benzenecarbonitrile is 478079-81-1.
What is the molecular formula of 4-{2-Hydroxy-3-[(4-methylphenyl)sulfonyl]propoxy}benzenecarbonitrile?
The molecular formula of 4-{2-Hydroxy-3-[(4-methylphenyl)sulfonyl]propoxy}benzenecarbonitrile is C17H17NO4S.
What is the molecular weight of 4-{2-Hydroxy-3-[(4-methylphenyl)sulfonyl]propoxy}benzenecarbonitrile?
The molecular weight of 4-{2-Hydroxy-3-[(4-methylphenyl)sulfonyl]propoxy}benzenecarbonitrile is 331.09 g/mol.
Where can I buy 4-{2-Hydroxy-3-[(4-methylphenyl)sulfonyl]propoxy}benzenecarbonitrile?
You can request a quote for 4-{2-Hydroxy-3-[(4-methylphenyl)sulfonyl]propoxy}benzenecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{2-Hydroxy-3-[(4-methylphenyl)sulfonyl]propoxy}benzenecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-{2-Hydroxy-3-[(4-methylphenyl)sulfonyl]propoxy}benzenecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.