(Z)-3-(5-methylfuran-2-yl)-2-(phenylsulfonyl)acrylonitrile
TL;DR: (Z)-3-(5-methylfuran-2-yl)-2-(phenylsulfonyl)acrylonitrile (CAS 195064-99-4) is a chemical compound with molecular formula C14H11NO3S and molecular weight 273.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-2-(benzenesulfonyl)-3-(5-methylfuran-2-yl)prop-2-enenitrile
Also Known As: BAS 02251252, (Z)-3-(5-methylfuran-2-yl)-2-(phenylsulfonyl)acrylonitrile, (Z)-2-(benzenesulfonyl)-3-(5-methylfuran-2-yl)prop-2-enenitrile
| Molecular Formula | C14H11NO3S |
|---|---|
| Molecular Weight | 273.05 g/mol |
| LogP | 2.9264 |
| Topological Polar Surface Area | 71.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 273.04596 |
| Heavy Atoms | 19 |
| Complexity | 749.48883 |
Chemical Identifiers
| CAS Number | 195064-99-4 |
|---|---|
| SMILES | CC1=CC=C(O1)/C=C(/C#N)\S(=O)(=O)C2=CC=CC=C2 |
Product Overview
(Z)-3-(5-methylfuran-2-yl)-2-(phenylsulfonyl)acrylonitrile (CAS 195064-99-4), with molecular formula C14H11NO3S and molecular weight 273.05 g/mol. IUPAC: (Z)-2-(benzenesulfonyl)-3-(5-methylfuran-2-yl)prop-2-enenitrile.
Chemical Property Profile of (Z)-3-(5-methylfuran-2-yl)-2-(phenylsulfonyl)acrylonitrile
Property Insights of (Z)-3-(5-methylfuran-2-yl)-2-(phenylsulfonyl)acrylonitrile
The XLogP value of 2.9264 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-3-(5-methylfuran-2-yl)-2-(phenylsulfonyl)acrylonitrile. The TPSA of 71.07 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-3-(5-methylfuran-2-yl)-2-(phenylsulfonyl)acrylonitrile. Following Lipinski's Rule of Five, (Z)-3-(5-methylfuran-2-yl)-2-(phenylsulfonyl)acrylonitrile has 0 hydrogen bond donor(s) and 4 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 (Z)-3-(5-methylfuran-2-yl)-2-(phenylsulfonyl)acrylonitrile?
The CAS number of (Z)-3-(5-methylfuran-2-yl)-2-(phenylsulfonyl)acrylonitrile is 195064-99-4.
What is the molecular formula of (Z)-3-(5-methylfuran-2-yl)-2-(phenylsulfonyl)acrylonitrile?
The molecular formula of (Z)-3-(5-methylfuran-2-yl)-2-(phenylsulfonyl)acrylonitrile is C14H11NO3S.
What is the molecular weight of (Z)-3-(5-methylfuran-2-yl)-2-(phenylsulfonyl)acrylonitrile?
The molecular weight of (Z)-3-(5-methylfuran-2-yl)-2-(phenylsulfonyl)acrylonitrile is 273.05 g/mol.
Where can I buy (Z)-3-(5-methylfuran-2-yl)-2-(phenylsulfonyl)acrylonitrile?
You can request a quote for (Z)-3-(5-methylfuran-2-yl)-2-(phenylsulfonyl)acrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-3-(5-methylfuran-2-yl)-2-(phenylsulfonyl)acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for (Z)-3-(5-methylfuran-2-yl)-2-(phenylsulfonyl)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.