Benzene, 1-(2-(methylsulfonyl)ethenyl)-4-nitro-
TL;DR: Benzene, 1-(2-(methylsulfonyl)ethenyl)-4-nitro- (CAS 40807-13-4) is a chemical compound with molecular formula C9H9NO4S and molecular weight 227.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(E)-2-methylsulfonylethenyl]-4-nitrobenzene
Also Known As: Benzene, 1-(2-(methylsulfonyl)ethenyl)-4-nitro-, 1-(2-Methanesulfonyl-vinyl)-4-nitro-benzene, 1-[(E)-2-methylsulfonylethenyl]-4-nitrobenzene, Benzene, 1-[2-(methylsulfonyl)ethenyl]-4-nitro-
| Molecular Formula | C9H9NO4S |
|---|---|
| Molecular Weight | 227.03 g/mol |
| LogP | 1.6101 |
| Topological Polar Surface Area | 77.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 227.02522 |
| Heavy Atoms | 15 |
| Complexity | 487.34857 |
Chemical Identifiers
| CAS Number | 40807-13-4 |
|---|---|
| SMILES | CS(=O)(=O)/C=C/C1=CC=C(C=C1)[N+](=O)[O-] |
Product Overview
Benzene, 1-(2-(methylsulfonyl)ethenyl)-4-nitro- (CAS 40807-13-4), with molecular formula C9H9NO4S and molecular weight 227.03 g/mol. IUPAC: 1-[(E)-2-methylsulfonylethenyl]-4-nitrobenzene.
Chemical Property Profile of Benzene, 1-(2-(methylsulfonyl)ethenyl)-4-nitro-
Property Insights of Benzene, 1-(2-(methylsulfonyl)ethenyl)-4-nitro-
The XLogP value of 1.6101 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzene, 1-(2-(methylsulfonyl)ethenyl)-4-nitro-. The TPSA of 77.28 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzene, 1-(2-(methylsulfonyl)ethenyl)-4-nitro-. Following Lipinski's Rule of Five, Benzene, 1-(2-(methylsulfonyl)ethenyl)-4-nitro- 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 Benzene, 1-(2-(methylsulfonyl)ethenyl)-4-nitro-?
The CAS number of Benzene, 1-(2-(methylsulfonyl)ethenyl)-4-nitro- is 40807-13-4.
What is the molecular formula of Benzene, 1-(2-(methylsulfonyl)ethenyl)-4-nitro-?
The molecular formula of Benzene, 1-(2-(methylsulfonyl)ethenyl)-4-nitro- is C9H9NO4S.
What is the molecular weight of Benzene, 1-(2-(methylsulfonyl)ethenyl)-4-nitro-?
The molecular weight of Benzene, 1-(2-(methylsulfonyl)ethenyl)-4-nitro- is 227.03 g/mol.
Where can I buy Benzene, 1-(2-(methylsulfonyl)ethenyl)-4-nitro-?
You can request a quote for Benzene, 1-(2-(methylsulfonyl)ethenyl)-4-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-(2-(methylsulfonyl)ethenyl)-4-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-(2-(methylsulfonyl)ethenyl)-4-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.