1-Tert-butyl-3,3-dichloro-4-phenylazetidin-2-one
TL;DR: 1-Tert-butyl-3,3-dichloro-4-phenylazetidin-2-one (CAS 13803-78-6) is a chemical compound with molecular formula C13H15Cl2NO and molecular weight 271.05307 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-tert-butyl-3,3-dichloro-4-phenylazetidin-2-one
Also Known As: 1-tert-butyl-3,3-dichloro-4-phenylazetidin-2-one, 3,3-dichloro-4-phenyl-1-tert-butyl-azetidin-2-one, 3,3-Dichloro-1-(1,1-dimethylethyl)-4-phenyl-2-azetidinone
Technical Specifications
| Molecular Formula | C13H15Cl2NO |
| Molecular Weight | 271.05307 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 271.05307 Da |
| Heavy Atoms | 17 |
| Complexity | 316.0 |
| SMILES | CC(C)(C)N1C(C(C1=O)(Cl)Cl)C2=CC=CC=C2 |
| InChIKey | YKHNVNMBJJTXEZ-UHFFFAOYSA-N |
Chemical Property Profile of 1-Tert-butyl-3,3-dichloro-4-phenylazetidin-2-one
Property Insights of 1-Tert-butyl-3,3-dichloro-4-phenylazetidin-2-one
The XLogP value of 3.2 indicates that 1-Tert-butyl-3,3-dichloro-4-phenylazetidin-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.3 Ų, 1-Tert-butyl-3,3-dichloro-4-phenylazetidin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Tert-butyl-3,3-dichloro-4-phenylazetidin-2-one 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
What is the CAS number of 1-Tert-butyl-3,3-dichloro-4-phenylazetidin-2-one?
The CAS number of 1-Tert-butyl-3,3-dichloro-4-phenylazetidin-2-one is 13803-78-6.
What is the molecular formula of 1-Tert-butyl-3,3-dichloro-4-phenylazetidin-2-one?
The molecular formula of 1-Tert-butyl-3,3-dichloro-4-phenylazetidin-2-one is C13H15Cl2NO.
What is the molecular weight of 1-Tert-butyl-3,3-dichloro-4-phenylazetidin-2-one?
The molecular weight of 1-Tert-butyl-3,3-dichloro-4-phenylazetidin-2-one is 271.05307 g/mol.
Where can I buy 1-Tert-butyl-3,3-dichloro-4-phenylazetidin-2-one?
You can request a quote for 1-Tert-butyl-3,3-dichloro-4-phenylazetidin-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Tert-butyl-3,3-dichloro-4-phenylazetidin-2-one?
Yes, CoreyChem provides custom synthesis services for 1-Tert-butyl-3,3-dichloro-4-phenylazetidin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.