2-((4-Methylphenyl)sulfonyl)-3-(5-(3-nitrophenyl)-2-furyl)acrylonitrile
TL;DR: 2-((4-Methylphenyl)sulfonyl)-3-(5-(3-nitrophenyl)-2-furyl)acrylonitrile (CAS 374544-29-3) is a chemical compound with molecular formula C20H14N2O5S and molecular weight 394.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-(4-methylphenyl)sulfonyl-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enenitrile
Also Known As: BAS 02251224, 3-(5-(3-Nitrophenyl)furan-2-yl)-2-tosylacrylonitrile, (E)-3-(5-(3-nitrophenyl)furan-2-yl)-2-tosylacrylonitrile, 2-((4-Methylphenyl)sulfonyl)-3-(5-(3-nitrophenyl)-2-furyl)acrylonitrile, 3-[5-(3-Nitro-phenyl)-furan-2-yl]-2-(toluene-4-sulfonyl)-acrylonitrile
| Molecular Formula | C20H14N2O5S |
|---|---|
| Molecular Weight | 394.06 g/mol |
| LogP | 4.5016 |
| Topological Polar Surface Area | 114.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 394.06235 |
| Heavy Atoms | 28 |
| Complexity | 1215.982 |
Chemical Identifiers
| CAS Number | 374544-29-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)/C(=C/C2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-])/C#N |
Product Overview
2-((4-Methylphenyl)sulfonyl)-3-(5-(3-nitrophenyl)-2-furyl)acrylonitrile (CAS 374544-29-3), with molecular formula C20H14N2O5S and molecular weight 394.06 g/mol. IUPAC: (E)-2-(4-methylphenyl)sulfonyl-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enenitrile.
Chemical Property Profile of 2-((4-Methylphenyl)sulfonyl)-3-(5-(3-nitrophenyl)-2-furyl)acrylonitrile
Property Insights of 2-((4-Methylphenyl)sulfonyl)-3-(5-(3-nitrophenyl)-2-furyl)acrylonitrile
The XLogP value of 4.5016 indicates that 2-((4-Methylphenyl)sulfonyl)-3-(5-(3-nitrophenyl)-2-furyl)acrylonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-Methylphenyl)sulfonyl)-3-(5-(3-nitrophenyl)-2-furyl)acrylonitrile. Following Lipinski's Rule of Five, 2-((4-Methylphenyl)sulfonyl)-3-(5-(3-nitrophenyl)-2-furyl)acrylonitrile has 0 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 2-((4-Methylphenyl)sulfonyl)-3-(5-(3-nitrophenyl)-2-furyl)acrylonitrile?
The CAS number of 2-((4-Methylphenyl)sulfonyl)-3-(5-(3-nitrophenyl)-2-furyl)acrylonitrile is 374544-29-3.
What is the molecular formula of 2-((4-Methylphenyl)sulfonyl)-3-(5-(3-nitrophenyl)-2-furyl)acrylonitrile?
The molecular formula of 2-((4-Methylphenyl)sulfonyl)-3-(5-(3-nitrophenyl)-2-furyl)acrylonitrile is C20H14N2O5S.
What is the molecular weight of 2-((4-Methylphenyl)sulfonyl)-3-(5-(3-nitrophenyl)-2-furyl)acrylonitrile?
The molecular weight of 2-((4-Methylphenyl)sulfonyl)-3-(5-(3-nitrophenyl)-2-furyl)acrylonitrile is 394.06 g/mol.
Where can I buy 2-((4-Methylphenyl)sulfonyl)-3-(5-(3-nitrophenyl)-2-furyl)acrylonitrile?
You can request a quote for 2-((4-Methylphenyl)sulfonyl)-3-(5-(3-nitrophenyl)-2-furyl)acrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-Methylphenyl)sulfonyl)-3-(5-(3-nitrophenyl)-2-furyl)acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-Methylphenyl)sulfonyl)-3-(5-(3-nitrophenyl)-2-furyl)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.