3-Acetylpyrrole
TL;DR: 3-Acetylpyrrole (CAS 1072-82-8) 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-3-yl)ethanone
Also Known As: 3-Acetylpyrrole, 1-(1H-pyrrol-3-yl)ethanone, 3-Acetyl pyrrole, 1-(1H-pyrrol-3-yl)ethan-1-one, 1-(1H-pyrrol-3-yl)-ethanone
| Molecular Formula | C6H7NO |
|---|---|
| Molecular Weight | 109.05 g/mol |
| LogP | 1.2173 |
| Topological Polar Surface Area | 32.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 109.052765 |
| Heavy Atoms | 8 |
| Complexity | 176.41843 |
Chemical Identifiers
| CAS Number | 1072-82-8 |
|---|---|
| SMILES | CC(=O)C1=CNC=C1 |
Product Overview
3-Acetylpyrrole (CAS 1072-82-8), with molecular formula C6H7NO and molecular weight 109.05 g/mol. IUPAC: 1-(1H-pyrrol-3-yl)ethanone.
Chemical Property Profile of 3-Acetylpyrrole
Property Insights of 3-Acetylpyrrole
The XLogP value of 1.2173 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Acetylpyrrole. With a topological polar surface area (TPSA) of 32.86 Ų, 3-Acetylpyrrole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-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 3-Acetylpyrrole?
The CAS number of 3-Acetylpyrrole is 1072-82-8.
What is the molecular formula of 3-Acetylpyrrole?
The molecular formula of 3-Acetylpyrrole is C6H7NO.
What is the molecular weight of 3-Acetylpyrrole?
The molecular weight of 3-Acetylpyrrole is 109.05 g/mol.
Where can I buy 3-Acetylpyrrole?
You can request a quote for 3-Acetylpyrrole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Acetylpyrrole?
Yes, KEHONG BIO provides custom synthesis services for 3-Acetylpyrrole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.