N-Acetylpyrrole
TL;DR: N-Acetylpyrrole (CAS 609-41-6) 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-pyrrol-1-ylethanone
Also Known As: N-Acetylpyrrole, acetyl pyrrole, Pyrrole, 1-acetyl, 1-pyrrol-1-ylethanone, 1-(1-oxoethyl)pyrrole
| Molecular Formula | C6H7NO |
|---|---|
| Molecular Weight | 109.05 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 22.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 109.052765 |
| Heavy Atoms | 8 |
| Complexity | 94.0 |
Chemical Identifiers
| CAS Number | 609-41-6 |
|---|---|
| SMILES | CC(=O)N1C=CC=C1 |
| InChIKey | OMYOJDLCFAUIHN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Acetylpyrrole (CAS 609-41-6), with molecular formula C6H7NO and molecular weight 109.05 g/mol. IUPAC: 1-pyrrol-1-ylethanone.
Chemical Property Profile of N-Acetylpyrrole
Property Insights of N-Acetylpyrrole
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Acetylpyrrole. With a topological polar surface area (TPSA) of 22.0 Ų, N-Acetylpyrrole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Acetylpyrrole has 0 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 N-Acetylpyrrole?
The CAS number of N-Acetylpyrrole is 609-41-6.
What is the molecular formula of N-Acetylpyrrole?
The molecular formula of N-Acetylpyrrole is C6H7NO.
What is the molecular weight of N-Acetylpyrrole?
The molecular weight of N-Acetylpyrrole is 109.05 g/mol.
Where can I buy N-Acetylpyrrole?
You can request a quote for N-Acetylpyrrole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Acetylpyrrole?
Yes, KEHONG BIO provides custom synthesis services for N-Acetylpyrrole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.