2-乙酰基吡咯啉
TL;DR: 2-乙酰基吡咯啉 (CAS 99583-29-6) is a chemical compound with molecular formula C6H9NO and molecular weight 111.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-乙酰基吡咯啉
1-(3,4-dihydro-2H-pyrrol-5-yl)ethanone
Also Known As: 2-Acetyl-1-pyrroline, 1-(3,4-Dihydro-2H-pyrrol-5-yl)ethanone, 1-Pyrroline, 2-acetyl, 2-Acetyl-1-pyrolline, 2-acetyl-1-pyrrolidine
| Molecular Formula | C6H9NO |
|---|---|
| Molecular Weight | 111.07 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 29.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 111.06841 |
| Heavy Atoms | 8 |
| Complexity | 137.0 |
Chemical Identifiers
| CAS Number | 99583-29-6 |
|---|---|
| SMILES | CC(=O)C1=NCCC1 |
| InChIKey | DQBQWWSFRPLIAX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-乙酰基吡咯啉 (CAS 99583-29-6), with molecular formula C6H9NO and molecular weight 111.07 g/mol. IUPAC: 1-(3,4-dihydro-2H-pyrrol-5-yl)ethanone.
Chemical Property Profile of 2-乙酰基吡咯啉
Property Insights of 2-乙酰基吡咯啉
The XLogP value of -0.4 indicates that 2-乙酰基吡咯啉 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 29.4 Ų, 2-乙酰基吡咯啉 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-乙酰基吡咯啉 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 2-乙酰基吡咯啉?
The CAS number of 2-乙酰基吡咯啉 is 99583-29-6.
What is the molecular formula of 2-乙酰基吡咯啉?
The molecular formula of 2-乙酰基吡咯啉 is C6H9NO.
What is the molecular weight of 2-乙酰基吡咯啉?
The molecular weight of 2-乙酰基吡咯啉 is 111.07 g/mol.
Where can I buy 2-乙酰基吡咯啉?
You can request a quote for 2-乙酰基吡咯啉 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-乙酰基吡咯啉?
Yes, KEHONG BIO provides custom synthesis services for 2-乙酰基吡咯啉 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.