1-Methyl-2-nitropyrrole
TL;DR: 1-Methyl-2-nitropyrrole (CAS 823-37-0) is a chemical compound with molecular formula C5H6N2O2 and molecular weight 126.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-2-nitropyrrole
Also Known As: 1-Methyl-2-nitro-1H-pyrrole, 1-Methyl-2-nitropyrrole, 1H-Pyrrole, 1-methyl-2-nitro-, N-methyl-2-nitropyrrole, Pyrrole, 1-methyl-2-nitro-
| Molecular Formula | C5H6N2O2 |
|---|---|
| Molecular Weight | 126.04 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 126.04293 |
| Heavy Atoms | 9 |
| Complexity | 121.0 |
Chemical Identifiers
| CAS Number | 823-37-0 |
|---|---|
| SMILES | CN1C=CC=C1[N+](=O)[O-] |
| InChIKey | ZNTAXEMTUMCOTJ-UHFFFAOYSA-N |
Product Overview
1-Methyl-2-nitropyrrole (CAS 823-37-0), with molecular formula C5H6N2O2 and molecular weight 126.04 g/mol. IUPAC: 1-methyl-2-nitropyrrole.
Chemical Property Profile of 1-Methyl-2-nitropyrrole
Property Insights of 1-Methyl-2-nitropyrrole
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-2-nitropyrrole. With a topological polar surface area (TPSA) of 50.8 Ų, 1-Methyl-2-nitropyrrole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-2-nitropyrrole 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-nitropyrrole?
The CAS number of 1-Methyl-2-nitropyrrole is 823-37-0.
What is the molecular formula of 1-Methyl-2-nitropyrrole?
The molecular formula of 1-Methyl-2-nitropyrrole is C5H6N2O2.
What is the molecular weight of 1-Methyl-2-nitropyrrole?
The molecular weight of 1-Methyl-2-nitropyrrole is 126.04 g/mol.
Where can I buy 1-Methyl-2-nitropyrrole?
You can request a quote for 1-Methyl-2-nitropyrrole 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-nitropyrrole?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-2-nitropyrrole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.