1,5-Diacetylpyrrolidin-2-one
TL;DR: 1,5-Diacetylpyrrolidin-2-one (CAS 85881-85-2) is a chemical compound with molecular formula C8H11NO3 and molecular weight 169.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,5-diacetylpyrrolidin-2-one
Also Known As: 1,5-diacetylpyrrolidin-2-one, 1,5-diacetyl-2-pyrroidone, 1,5-Diacetyl-2-pyrrolidone, N,5-diacetylpyrrolidin-2-one, 1,5-Diacetyl-2-pyrrolizinone
| Molecular Formula | C8H11NO3 |
|---|---|
| Molecular Weight | 169.07 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 54.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 169.0739 |
| Heavy Atoms | 12 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 85881-85-2 |
|---|---|
| SMILES | CC(=O)C1CCC(=O)N1C(=O)C |
| InChIKey | XHYQSLAIRFZQAS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,5-Diacetylpyrrolidin-2-one (CAS 85881-85-2), with molecular formula C8H11NO3 and molecular weight 169.07 g/mol. IUPAC: 1,5-diacetylpyrrolidin-2-one.
Chemical Property Profile of 1,5-Diacetylpyrrolidin-2-one
Property Insights of 1,5-Diacetylpyrrolidin-2-one
The XLogP value of -0.6 indicates that 1,5-Diacetylpyrrolidin-2-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 54.5 Ų, 1,5-Diacetylpyrrolidin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,5-Diacetylpyrrolidin-2-one has 0 hydrogen bond donor(s) and 3 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 1,5-Diacetylpyrrolidin-2-one?
The CAS number of 1,5-Diacetylpyrrolidin-2-one is 85881-85-2.
What is the molecular formula of 1,5-Diacetylpyrrolidin-2-one?
The molecular formula of 1,5-Diacetylpyrrolidin-2-one is C8H11NO3.
What is the molecular weight of 1,5-Diacetylpyrrolidin-2-one?
The molecular weight of 1,5-Diacetylpyrrolidin-2-one is 169.07 g/mol.
Where can I buy 1,5-Diacetylpyrrolidin-2-one?
You can request a quote for 1,5-Diacetylpyrrolidin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,5-Diacetylpyrrolidin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1,5-Diacetylpyrrolidin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.