2-Acetylpyrrole
TL;DR: 2-Acetylpyrrole (CAS 1072-83-9) is a chemical compound with molecular formula C6H7NO and molecular weight 109.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1H-pyrrol-2-yl)ethanone
Also Known As: 2-ACETYLPYRROLE, 1-(1H-Pyrrol-2-yl)ethanone, 2-acetyl pyrrole, 2-Pyrrolylethanone, 2-Acetyl-1H-pyrrole
| Molecular Formula | C6H7NO |
|---|---|
| Molecular Weight | 109.05 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 32.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 109.052765 |
| Heavy Atoms | 8 |
| Complexity | 101.0 |
| Melting Point | 90 °C |
| Boiling Point | 220.00 °C. @ 760.00 mm Hg |
| Solubility | Soluble in water and ether |
Chemical Identifiers
| CAS Number | 1072-83-9 |
|---|---|
| SMILES | CC(=O)C1=CC=CN1 |
| InChIKey | IGJQUJNPMOYEJY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Acetylpyrrole (CAS 1072-83-9), with molecular formula C6H7NO and molecular weight 109.05 g/mol. IUPAC: 1-(1H-pyrrol-2-yl)ethanone.
Chemical Property Profile of 2-Acetylpyrrole
Property Insights of 2-Acetylpyrrole
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Acetylpyrrole. With a topological polar surface area (TPSA) of 32.9 Ų, 2-Acetylpyrrole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Acetylpyrrole has 1 hydrogen bond donor(s) and 1 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-Acetylpyrrole?
The CAS number of 2-Acetylpyrrole is 1072-83-9.
What is the molecular formula of 2-Acetylpyrrole?
The molecular formula of 2-Acetylpyrrole is C6H7NO.
What is the molecular weight of 2-Acetylpyrrole?
The molecular weight of 2-Acetylpyrrole is 109.05 g/mol.
Where can I buy 2-Acetylpyrrole?
You can request a quote for 2-Acetylpyrrole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Acetylpyrrole?
Yes, KEHONG BIO provides custom synthesis services for 2-Acetylpyrrole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.