1-Methyl-2-(2-nitroethenyl)-1H-pyrrole
TL;DR: 1-Methyl-2-(2-nitroethenyl)-1H-pyrrole (CAS 100446-35-3) is a chemical compound with molecular formula C7H8N2O2 and molecular weight 152.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-2-(2-nitroethenyl)pyrrole
Also Known As: 1-methyl-2-(2-nitrovinyl)-1h-pyrrole, 1-Methyl-2-(2-nitroethenyl)-1H-pyrrole, 1-methyl-2-(2-nitroethenyl)-pyrrole, 1-methyl-2-(2-nitroethenyl)pyrrole, 1H-Pyrrole,1-methyl-2-(2-nitroethenyl)-
| Molecular Formula | C7H8N2O2 |
|---|---|
| Molecular Weight | 152.06 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 152.05858 |
| Heavy Atoms | 11 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 100446-35-3 |
|---|---|
| SMILES | CN1C=CC=C1C=C[N+](=O)[O-] |
| InChIKey | NHVYARKRYOUKFA-UHFFFAOYSA-N |
Product Overview
1-Methyl-2-(2-nitroethenyl)-1H-pyrrole (CAS 100446-35-3), with molecular formula C7H8N2O2 and molecular weight 152.06 g/mol. IUPAC: 1-methyl-2-(2-nitroethenyl)pyrrole.
Chemical Property Profile of 1-Methyl-2-(2-nitroethenyl)-1H-pyrrole
Property Insights of 1-Methyl-2-(2-nitroethenyl)-1H-pyrrole
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-2-(2-nitroethenyl)-1H-pyrrole. With a topological polar surface area (TPSA) of 50.8 Ų, 1-Methyl-2-(2-nitroethenyl)-1H-pyrrole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-2-(2-nitroethenyl)-1H-pyrrole has 0 hydrogen bond donor(s) and 2 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-Methyl-2-(2-nitroethenyl)-1H-pyrrole?
The CAS number of 1-Methyl-2-(2-nitroethenyl)-1H-pyrrole is 100446-35-3.
What is the molecular formula of 1-Methyl-2-(2-nitroethenyl)-1H-pyrrole?
The molecular formula of 1-Methyl-2-(2-nitroethenyl)-1H-pyrrole is C7H8N2O2.
What is the molecular weight of 1-Methyl-2-(2-nitroethenyl)-1H-pyrrole?
The molecular weight of 1-Methyl-2-(2-nitroethenyl)-1H-pyrrole is 152.06 g/mol.
Where can I buy 1-Methyl-2-(2-nitroethenyl)-1H-pyrrole?
You can request a quote for 1-Methyl-2-(2-nitroethenyl)-1H-pyrrole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-2-(2-nitroethenyl)-1H-pyrrole?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-2-(2-nitroethenyl)-1H-pyrrole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.