![4-{2-Hydroxy-3-[(2-methoxyphenyl)sulfonyl]propoxy}benzenecarbonitrile structure](/static/products/4780/478079-82-2.webp)
4-{2-Hydroxy-3-[(2-methoxyphenyl)sulfonyl]propoxy}benzenecarbonitrile
TL;DR: 4-{2-Hydroxy-3-[(2-methoxyphenyl)sulfonyl]propoxy}benzenecarbonitrile (CAS 478079-82-2) is a chemical compound with molecular formula C17H17NO5S and molecular weight 347.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-hydroxy-3-(2-methoxyphenyl)sulfonylpropoxy]benzonitrile
Also Known As: 4-{2-hydroxy-3-[(2-methoxyphenyl)sulfonyl]propoxy}benzenecarbonitrile, 4-[2-hydroxy-3-(2-methoxybenzenesulfonyl)propoxy]benzonitrile, 4-[2-hydroxy-3-(2-methoxyphenyl)sulfonylpropoxy]benzonitrile, 4-[2-hydroxy-3-(2-methoxyphenyl)sulfonyl-propoxy]benzonitrile
| Molecular Formula | C17H17NO5S |
|---|---|
| Molecular Weight | 347.08 g/mol |
| LogP | 1.78048 |
| Topological Polar Surface Area | 96.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 347.08273 |
| Heavy Atoms | 24 |
| Complexity | 824.80457 |
Chemical Identifiers
| CAS Number | 478079-82-2 |
|---|---|
| SMILES | COC1=CC=CC=C1S(=O)(=O)CC(COC2=CC=C(C=C2)C#N)O |
Product Overview
4-{2-Hydroxy-3-[(2-methoxyphenyl)sulfonyl]propoxy}benzenecarbonitrile (CAS 478079-82-2), with molecular formula C17H17NO5S and molecular weight 347.08 g/mol. IUPAC: 4-[2-hydroxy-3-(2-methoxyphenyl)sulfonylpropoxy]benzonitrile.
Chemical Property Profile of 4-{2-Hydroxy-3-[(2-methoxyphenyl)sulfonyl]propoxy}benzenecarbonitrile
Property Insights of 4-{2-Hydroxy-3-[(2-methoxyphenyl)sulfonyl]propoxy}benzenecarbonitrile
The XLogP value of 1.78048 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{2-Hydroxy-3-[(2-methoxyphenyl)sulfonyl]propoxy}benzenecarbonitrile. The TPSA of 96.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{2-Hydroxy-3-[(2-methoxyphenyl)sulfonyl]propoxy}benzenecarbonitrile. Following Lipinski's Rule of Five, 4-{2-Hydroxy-3-[(2-methoxyphenyl)sulfonyl]propoxy}benzenecarbonitrile has 1 hydrogen bond donor(s) and 6 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-[(2-methoxyphenyl)sulfonyl]propoxy}benzenecarbonitrile?
The CAS number of 4-{2-Hydroxy-3-[(2-methoxyphenyl)sulfonyl]propoxy}benzenecarbonitrile is 478079-82-2.
What is the molecular formula of 4-{2-Hydroxy-3-[(2-methoxyphenyl)sulfonyl]propoxy}benzenecarbonitrile?
The molecular formula of 4-{2-Hydroxy-3-[(2-methoxyphenyl)sulfonyl]propoxy}benzenecarbonitrile is C17H17NO5S.
What is the molecular weight of 4-{2-Hydroxy-3-[(2-methoxyphenyl)sulfonyl]propoxy}benzenecarbonitrile?
The molecular weight of 4-{2-Hydroxy-3-[(2-methoxyphenyl)sulfonyl]propoxy}benzenecarbonitrile is 347.08 g/mol.
Where can I buy 4-{2-Hydroxy-3-[(2-methoxyphenyl)sulfonyl]propoxy}benzenecarbonitrile?
You can request a quote for 4-{2-Hydroxy-3-[(2-methoxyphenyl)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-[(2-methoxyphenyl)sulfonyl]propoxy}benzenecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-{2-Hydroxy-3-[(2-methoxyphenyl)sulfonyl]propoxy}benzenecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.