2-吡咯烷酮
TL;DR: 2-吡咯烷酮 (CAS 616-45-5) is a chemical compound with molecular formula C4H7NO and molecular weight 85.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-吡咯烷酮
pyrrolidin-2-one
Also Known As: 2-Pyrrolidinone, pyrrolidin-2-one, Pyrrolidone, 2-PYRROLIDONE, Butyrolactam
| Molecular Formula | C4H7NO |
|---|---|
| Molecular Weight | 85.05 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 85.052765 |
| Heavy Atoms | 6 |
| Complexity | 69.0 |
| Melting Point | 25.0 °C |
| Boiling Point | 245 °C @ 760 mm Hg; 113-114 @ 9.2 mm Hg; 76 °C @ 0.2 mm Hg |
| Density | 1.116 @ 25 °C |
| Solubility | Very sol in alcohol, ether, benzene, chloroform, carbon disulfide |
| Flash Point | 129.4 °C (129 °C) (open cup) |
| Vapor Pressure | 0.00949 [mmHg] |
| Refractive Index | 1.4806 @ 30 °C; SADTLER REF NUMBER: 7235 (IR, PRISM); 818 (NMR) |
Chemical Identifiers
| CAS Number | 616-45-5 |
|---|---|
| SMILES | C1CC(=O)NC1 |
| InChIKey | HNJBEVLQSNELDL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-吡咯烷酮 (CAS 616-45-5), with molecular formula C4H7NO and molecular weight 85.05 g/mol. IUPAC: pyrrolidin-2-one.
Chemical Property Profile of 2-吡咯烷酮
Property Insights of 2-吡咯烷酮
The XLogP value of -0.8 indicates that 2-吡咯烷酮 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 29.1 Ų, 2-吡咯烷酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-吡咯烷酮 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-吡咯烷酮?
The CAS number of 2-吡咯烷酮 is 616-45-5.
What is the molecular formula of 2-吡咯烷酮?
The molecular formula of 2-吡咯烷酮 is C4H7NO.
What is the molecular weight of 2-吡咯烷酮?
The molecular weight of 2-吡咯烷酮 is 85.05 g/mol.
Where can I buy 2-吡咯烷酮?
You can request a quote for 2-吡咯烷酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-吡咯烷酮?
Yes, KEHONG BIO provides custom synthesis services for 2-吡咯烷酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.