3,3-Dimethylazetidin-2-one
TL;DR: 3,3-Dimethylazetidin-2-one (CAS 7486-91-1) is a chemical compound with molecular formula C5H9NO and molecular weight 99.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethylazetidin-2-one
Also Known As: 3,3-dimethylazetidin-2-one, Pivalolactam, 2-Azetidinone, 3,3-dimethyl-, 3,3-Dimethylazetidinone, 3,3-Dimethyl-2-azetidinone
| Molecular Formula | C5H9NO |
|---|---|
| Molecular Weight | 99.07 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 99.06841 |
| Heavy Atoms | 7 |
| Complexity | 107.0 |
Chemical Identifiers
| CAS Number | 7486-91-1 |
|---|---|
| SMILES | CC1(CNC1=O)C |
| InChIKey | DCAKVVTXKWWUGN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3-Dimethylazetidin-2-one (CAS 7486-91-1), with molecular formula C5H9NO and molecular weight 99.07 g/mol. IUPAC: 3,3-dimethylazetidin-2-one.
Chemical Property Profile of 3,3-Dimethylazetidin-2-one
Property Insights of 3,3-Dimethylazetidin-2-one
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-Dimethylazetidin-2-one. With a topological polar surface area (TPSA) of 29.1 Ų, 3,3-Dimethylazetidin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Dimethylazetidin-2-one 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 3,3-Dimethylazetidin-2-one?
The CAS number of 3,3-Dimethylazetidin-2-one is 7486-91-1.
What is the molecular formula of 3,3-Dimethylazetidin-2-one?
The molecular formula of 3,3-Dimethylazetidin-2-one is C5H9NO.
What is the molecular weight of 3,3-Dimethylazetidin-2-one?
The molecular weight of 3,3-Dimethylazetidin-2-one is 99.07 g/mol.
Where can I buy 3,3-Dimethylazetidin-2-one?
You can request a quote for 3,3-Dimethylazetidin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Dimethylazetidin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Dimethylazetidin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.