1-(4-Methylphenyl)sulfonyl-2-(2-nitroethenyl)pyrrole
TL;DR: 1-(4-Methylphenyl)sulfonyl-2-(2-nitroethenyl)pyrrole (CAS 922729-56-4) is a chemical compound with molecular formula C13H12N2O4S and molecular weight 292.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methylphenyl)sulfonyl-2-(2-nitroethenyl)pyrrole
Also Known As: 1-(4-methylphenyl)sulfonyl-2-(2-nitroethenyl)pyrrole, L-Histidine,L-leucyl-L-histidyl-L-arginyl, 1-(4-Methylbenzene-1-sulfonyl)-2-(2-nitroethen-1-yl)-1H-pyrrole, 1H-Pyrrole, 1-[(4-methylphenyl)sulfonyl]-2-[(1E)-2-nitroethenyl]-
| Molecular Formula | C13H12N2O4S |
|---|---|
| Molecular Weight | 292.05 g/mol |
| LogP | 2.28092 |
| Topological Polar Surface Area | 82.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 292.0518 |
| Heavy Atoms | 20 |
| Complexity | 757.92377 |
Chemical Identifiers
| CAS Number | 922729-56-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2C=CC=C2C=C[N+](=O)[O-] |
Product Overview
1-(4-Methylphenyl)sulfonyl-2-(2-nitroethenyl)pyrrole (CAS 922729-56-4), with molecular formula C13H12N2O4S and molecular weight 292.05 g/mol. IUPAC: 1-(4-methylphenyl)sulfonyl-2-(2-nitroethenyl)pyrrole.
Chemical Property Profile of 1-(4-Methylphenyl)sulfonyl-2-(2-nitroethenyl)pyrrole
Property Insights of 1-(4-Methylphenyl)sulfonyl-2-(2-nitroethenyl)pyrrole
The XLogP value of 2.28092 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Methylphenyl)sulfonyl-2-(2-nitroethenyl)pyrrole. The TPSA of 82.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Methylphenyl)sulfonyl-2-(2-nitroethenyl)pyrrole. Following Lipinski's Rule of Five, 1-(4-Methylphenyl)sulfonyl-2-(2-nitroethenyl)pyrrole 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-(4-Methylphenyl)sulfonyl-2-(2-nitroethenyl)pyrrole?
The CAS number of 1-(4-Methylphenyl)sulfonyl-2-(2-nitroethenyl)pyrrole is 922729-56-4.
What is the molecular formula of 1-(4-Methylphenyl)sulfonyl-2-(2-nitroethenyl)pyrrole?
The molecular formula of 1-(4-Methylphenyl)sulfonyl-2-(2-nitroethenyl)pyrrole is C13H12N2O4S.
What is the molecular weight of 1-(4-Methylphenyl)sulfonyl-2-(2-nitroethenyl)pyrrole?
The molecular weight of 1-(4-Methylphenyl)sulfonyl-2-(2-nitroethenyl)pyrrole is 292.05 g/mol.
Where can I buy 1-(4-Methylphenyl)sulfonyl-2-(2-nitroethenyl)pyrrole?
You can request a quote for 1-(4-Methylphenyl)sulfonyl-2-(2-nitroethenyl)pyrrole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Methylphenyl)sulfonyl-2-(2-nitroethenyl)pyrrole?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Methylphenyl)sulfonyl-2-(2-nitroethenyl)pyrrole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.