2-(2-Hydroxy-3-((4-methylphenyl)sulfonyl)propoxy)benzonitrile
TL;DR: 2-(2-Hydroxy-3-((4-methylphenyl)sulfonyl)propoxy)benzonitrile (CAS 478079-77-5) 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.
2-[2-hydroxy-3-(4-methylphenyl)sulfonylpropoxy]benzonitrile
Also Known As: 2-{2-hydroxy-3-[(4-methylphenyl)sulfonyl]propoxy}benzenecarbonitrile, 2-[2-hydroxy-3-(4-methylbenzenesulfonyl)propoxy]benzonitrile, 2-[2-hydroxy-3-(4-methylphenyl)sulfonylpropoxy]benzonitrile, 2-[2-hydroxy-3-(p-tolylsulfonyl)propoxy]benzonitrile, 2-[2-Hydroxy-3-[(4-methylphenyl)sulfonyl]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 | 807.2322 |
Chemical Identifiers
| CAS Number | 478079-77-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)CC(COC2=CC=CC=C2C#N)O |
Product Overview
2-(2-Hydroxy-3-((4-methylphenyl)sulfonyl)propoxy)benzonitrile (CAS 478079-77-5), with molecular formula C17H17NO4S and molecular weight 331.09 g/mol. IUPAC: 2-[2-hydroxy-3-(4-methylphenyl)sulfonylpropoxy]benzonitrile.
Chemical Property Profile of 2-(2-Hydroxy-3-((4-methylphenyl)sulfonyl)propoxy)benzonitrile
Property Insights of 2-(2-Hydroxy-3-((4-methylphenyl)sulfonyl)propoxy)benzonitrile
The XLogP value of 2.0803 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Hydroxy-3-((4-methylphenyl)sulfonyl)propoxy)benzonitrile. The TPSA of 87.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Hydroxy-3-((4-methylphenyl)sulfonyl)propoxy)benzonitrile. Following Lipinski's Rule of Five, 2-(2-Hydroxy-3-((4-methylphenyl)sulfonyl)propoxy)benzonitrile 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 2-(2-Hydroxy-3-((4-methylphenyl)sulfonyl)propoxy)benzonitrile?
The CAS number of 2-(2-Hydroxy-3-((4-methylphenyl)sulfonyl)propoxy)benzonitrile is 478079-77-5.
What is the molecular formula of 2-(2-Hydroxy-3-((4-methylphenyl)sulfonyl)propoxy)benzonitrile?
The molecular formula of 2-(2-Hydroxy-3-((4-methylphenyl)sulfonyl)propoxy)benzonitrile is C17H17NO4S.
What is the molecular weight of 2-(2-Hydroxy-3-((4-methylphenyl)sulfonyl)propoxy)benzonitrile?
The molecular weight of 2-(2-Hydroxy-3-((4-methylphenyl)sulfonyl)propoxy)benzonitrile is 331.09 g/mol.
Where can I buy 2-(2-Hydroxy-3-((4-methylphenyl)sulfonyl)propoxy)benzonitrile?
You can request a quote for 2-(2-Hydroxy-3-((4-methylphenyl)sulfonyl)propoxy)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Hydroxy-3-((4-methylphenyl)sulfonyl)propoxy)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Hydroxy-3-((4-methylphenyl)sulfonyl)propoxy)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.