2-Acetyl-5-nitropyrrole
TL;DR: 2-Acetyl-5-nitropyrrole (CAS 32116-25-9) is a chemical compound with molecular formula C6H6N2O3 and molecular weight 154.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-nitro-1H-pyrrol-2-yl)ethanone
Also Known As: 2-Acetyl-5-nitropyrrole, 1-(5-nitro-1H-pyrrol-2-yl)ethanone, Pyrrole, 2-acetyl-5-nitro-, 2-Nitro-5-acetyl-1H-pyrrole, 5-nitro-2-acetylpyrrole
| Molecular Formula | C6H6N2O3 |
|---|---|
| Molecular Weight | 154.04 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 78.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 154.03784 |
| Heavy Atoms | 11 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 32116-25-9 |
|---|---|
| SMILES | CC(=O)C1=CC=C(N1)[N+](=O)[O-] |
| InChIKey | LIJJWPMRFYFJFR-UHFFFAOYSA-N |
Product Overview
2-Acetyl-5-nitropyrrole (CAS 32116-25-9), with molecular formula C6H6N2O3 and molecular weight 154.04 g/mol. IUPAC: 1-(5-nitro-1H-pyrrol-2-yl)ethanone.
Chemical Property Profile of 2-Acetyl-5-nitropyrrole
Property Insights of 2-Acetyl-5-nitropyrrole
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Acetyl-5-nitropyrrole. The TPSA of 78.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Acetyl-5-nitropyrrole. Following Lipinski's Rule of Five, 2-Acetyl-5-nitropyrrole has 1 hydrogen bond donor(s) and 3 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 2-Acetyl-5-nitropyrrole?
The CAS number of 2-Acetyl-5-nitropyrrole is 32116-25-9.
What is the molecular formula of 2-Acetyl-5-nitropyrrole?
The molecular formula of 2-Acetyl-5-nitropyrrole is C6H6N2O3.
What is the molecular weight of 2-Acetyl-5-nitropyrrole?
The molecular weight of 2-Acetyl-5-nitropyrrole is 154.04 g/mol.
Where can I buy 2-Acetyl-5-nitropyrrole?
You can request a quote for 2-Acetyl-5-nitropyrrole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Acetyl-5-nitropyrrole?
Yes, KEHONG BIO provides custom synthesis services for 2-Acetyl-5-nitropyrrole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.