![2-{3-[(4-Chlorophenyl)sulfonyl]-2-hydroxypropoxy}benzenecarbonitrile structure](/static/products/4780/478079-76-4.webp)
2-{3-[(4-Chlorophenyl)sulfonyl]-2-hydroxypropoxy}benzenecarbonitrile
TL;DR: 2-{3-[(4-Chlorophenyl)sulfonyl]-2-hydroxypropoxy}benzenecarbonitrile (CAS 478079-76-4) is a chemical compound with molecular formula C16H14ClNO4S and molecular weight 351.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(4-chlorophenyl)sulfonyl-2-hydroxypropoxy]benzonitrile
Also Known As: Bionet1_004645, 2-{3-[(4-chlorophenyl)sulfonyl]-2-hydroxypropoxy}benzenecarbonitrile, 2-[3-(4-chlorobenzenesulfonyl)-2-hydroxypropoxy]benzonitrile, 2-[3-(4-chlorophenyl)sulfonyl-2-hydroxypropoxy]benzonitrile, 7R-1246
| Molecular Formula | C16H14ClNO4S |
|---|---|
| Molecular Weight | 351.03 g/mol |
| LogP | 2.42528 |
| Topological Polar Surface Area | 87.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 351.0332 |
| Heavy Atoms | 23 |
| Complexity | 812.71906 |
Chemical Identifiers
| CAS Number | 478079-76-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C#N)OCC(CS(=O)(=O)C2=CC=C(C=C2)Cl)O |
Product Overview
2-{3-[(4-Chlorophenyl)sulfonyl]-2-hydroxypropoxy}benzenecarbonitrile (CAS 478079-76-4), with molecular formula C16H14ClNO4S and molecular weight 351.03 g/mol. IUPAC: 2-[3-(4-chlorophenyl)sulfonyl-2-hydroxypropoxy]benzonitrile.
Chemical Property Profile of 2-{3-[(4-Chlorophenyl)sulfonyl]-2-hydroxypropoxy}benzenecarbonitrile
Property Insights of 2-{3-[(4-Chlorophenyl)sulfonyl]-2-hydroxypropoxy}benzenecarbonitrile
The XLogP value of 2.42528 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{3-[(4-Chlorophenyl)sulfonyl]-2-hydroxypropoxy}benzenecarbonitrile. The TPSA of 87.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{3-[(4-Chlorophenyl)sulfonyl]-2-hydroxypropoxy}benzenecarbonitrile. Following Lipinski's Rule of Five, 2-{3-[(4-Chlorophenyl)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 2-{3-[(4-Chlorophenyl)sulfonyl]-2-hydroxypropoxy}benzenecarbonitrile?
The CAS number of 2-{3-[(4-Chlorophenyl)sulfonyl]-2-hydroxypropoxy}benzenecarbonitrile is 478079-76-4.
What is the molecular formula of 2-{3-[(4-Chlorophenyl)sulfonyl]-2-hydroxypropoxy}benzenecarbonitrile?
The molecular formula of 2-{3-[(4-Chlorophenyl)sulfonyl]-2-hydroxypropoxy}benzenecarbonitrile is C16H14ClNO4S.
What is the molecular weight of 2-{3-[(4-Chlorophenyl)sulfonyl]-2-hydroxypropoxy}benzenecarbonitrile?
The molecular weight of 2-{3-[(4-Chlorophenyl)sulfonyl]-2-hydroxypropoxy}benzenecarbonitrile is 351.03 g/mol.
Where can I buy 2-{3-[(4-Chlorophenyl)sulfonyl]-2-hydroxypropoxy}benzenecarbonitrile?
You can request a quote for 2-{3-[(4-Chlorophenyl)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 2-{3-[(4-Chlorophenyl)sulfonyl]-2-hydroxypropoxy}benzenecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-{3-[(4-Chlorophenyl)sulfonyl]-2-hydroxypropoxy}benzenecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.