3-(1-Methylethylidene)-1-phenyl-2-azetidinone
TL;DR: 3-(1-Methylethylidene)-1-phenyl-2-azetidinone (CAS 68695-52-3) is a chemical compound with molecular formula C12H13NO and molecular weight 187.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenyl-3-propan-2-ylideneazetidin-2-one
Also Known As: 3-(1-Methylethylidene)-1-phenyl-2-azetidinone, 1-phenyl-3-propan-2-ylideneazetidin-2-one, 1-Phenyl-3-(propan-2-ylidene)azetidin-2-one, 2-Azetidinone, 3-(1-methylethylidene)-1-phenyl-, 3-(1-Methylethylidene)-1-phenyl-2-azetidinone #
| Molecular Formula | C12H13NO |
|---|---|
| Molecular Weight | 187.10 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 187.09972 |
| Heavy Atoms | 14 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 68695-52-3 |
|---|---|
| SMILES | CC(=C1CN(C1=O)C2=CC=CC=C2)C |
| InChIKey | RWJOBMLYXMNEDI-UHFFFAOYSA-N |
Product Overview
3-(1-Methylethylidene)-1-phenyl-2-azetidinone (CAS 68695-52-3), with molecular formula C12H13NO and molecular weight 187.10 g/mol. IUPAC: 1-phenyl-3-propan-2-ylideneazetidin-2-one.
Chemical Property Profile of 3-(1-Methylethylidene)-1-phenyl-2-azetidinone
Property Insights of 3-(1-Methylethylidene)-1-phenyl-2-azetidinone
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1-Methylethylidene)-1-phenyl-2-azetidinone. With a topological polar surface area (TPSA) of 20.3 Ų, 3-(1-Methylethylidene)-1-phenyl-2-azetidinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1-Methylethylidene)-1-phenyl-2-azetidinone 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
Frequently Asked Questions
What is the CAS number of 3-(1-Methylethylidene)-1-phenyl-2-azetidinone?
The CAS number of 3-(1-Methylethylidene)-1-phenyl-2-azetidinone is 68695-52-3.
What is the molecular formula of 3-(1-Methylethylidene)-1-phenyl-2-azetidinone?
The molecular formula of 3-(1-Methylethylidene)-1-phenyl-2-azetidinone is C12H13NO.
What is the molecular weight of 3-(1-Methylethylidene)-1-phenyl-2-azetidinone?
The molecular weight of 3-(1-Methylethylidene)-1-phenyl-2-azetidinone is 187.10 g/mol.
Where can I buy 3-(1-Methylethylidene)-1-phenyl-2-azetidinone?
You can request a quote for 3-(1-Methylethylidene)-1-phenyl-2-azetidinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1-Methylethylidene)-1-phenyl-2-azetidinone?
Yes, KEHONG BIO provides custom synthesis services for 3-(1-Methylethylidene)-1-phenyl-2-azetidinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.