![1-[2-(Benzenesulfonyl)ethenyl]-3-nitrobenzene structure](/static/products/4080/40807-05-4.webp)
1-[2-(Benzenesulfonyl)ethenyl]-3-nitrobenzene
TL;DR: 1-[2-(Benzenesulfonyl)ethenyl]-3-nitrobenzene (CAS 40807-05-4) is a chemical compound with molecular formula C14H11NO4S and molecular weight 289.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(benzenesulfonyl)ethenyl]-3-nitrobenzene
Also Known As: 1-nitro-3-[2-(phenylsulfonyl)ethenyl]benzene, 1-[2-(benzenesulfonyl)ethenyl]-3-nitrobenzene, 1-[(E)-2-(benzenesulfonyl)ethenyl]-3-nitro-benzene
| Molecular Formula | C14H11NO4S |
|---|---|
| Molecular Weight | 289.04 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 88.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 289.0409 |
| Heavy Atoms | 20 |
| Complexity | 455.0 |
Chemical Identifiers
| CAS Number | 40807-05-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-] |
| InChIKey | QPDCKELHZKDQNP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-[2-(Benzenesulfonyl)ethenyl]-3-nitrobenzene (CAS 40807-05-4), with molecular formula C14H11NO4S and molecular weight 289.04 g/mol. IUPAC: 1-[2-(benzenesulfonyl)ethenyl]-3-nitrobenzene.
Chemical Property Profile of 1-[2-(Benzenesulfonyl)ethenyl]-3-nitrobenzene
Property Insights of 1-[2-(Benzenesulfonyl)ethenyl]-3-nitrobenzene
The XLogP value of 3.0 indicates that 1-[2-(Benzenesulfonyl)ethenyl]-3-nitrobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[2-(Benzenesulfonyl)ethenyl]-3-nitrobenzene. Following Lipinski's Rule of Five, 1-[2-(Benzenesulfonyl)ethenyl]-3-nitrobenzene 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 1-[2-(Benzenesulfonyl)ethenyl]-3-nitrobenzene?
The CAS number of 1-[2-(Benzenesulfonyl)ethenyl]-3-nitrobenzene is 40807-05-4.
What is the molecular formula of 1-[2-(Benzenesulfonyl)ethenyl]-3-nitrobenzene?
The molecular formula of 1-[2-(Benzenesulfonyl)ethenyl]-3-nitrobenzene is C14H11NO4S.
What is the molecular weight of 1-[2-(Benzenesulfonyl)ethenyl]-3-nitrobenzene?
The molecular weight of 1-[2-(Benzenesulfonyl)ethenyl]-3-nitrobenzene is 289.04 g/mol.
Where can I buy 1-[2-(Benzenesulfonyl)ethenyl]-3-nitrobenzene?
You can request a quote for 1-[2-(Benzenesulfonyl)ethenyl]-3-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[2-(Benzenesulfonyl)ethenyl]-3-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-[2-(Benzenesulfonyl)ethenyl]-3-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.