Ethyl 4-(3,3-dimethyl-2-oxoazetidin-1-yl)benzoate
TL;DR: Ethyl 4-(3,3-dimethyl-2-oxoazetidin-1-yl)benzoate (CAS 341965-86-4) is a chemical compound with molecular formula C14H17NO3 and molecular weight 247.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(3,3-dimethyl-2-oxoazetidin-1-yl)benzoate
Also Known As: ethyl 4-(3,3-dimethyl-2-oxoazetidin-1-yl)benzoate, Bionet2_001001, ethyl 4-(3,3-dimethyl-2-oxo-1-azetanyl)benzenecarboxylate, 10L-719, Ethyl 4-(3,3-dimethyl-2-oxo-1-azetidinyl)benzoate
| Molecular Formula | C14H17NO3 |
|---|---|
| Molecular Weight | 247.12 g/mol |
| LogP | 2.2361 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.12085 |
| Heavy Atoms | 18 |
| Complexity | 476.3174 |
Chemical Identifiers
| CAS Number | 341965-86-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2CC(C2=O)(C)C |
Product Overview
Ethyl 4-(3,3-dimethyl-2-oxoazetidin-1-yl)benzoate (CAS 341965-86-4), with molecular formula C14H17NO3 and molecular weight 247.12 g/mol. IUPAC: ethyl 4-(3,3-dimethyl-2-oxoazetidin-1-yl)benzoate.
Chemical Property Profile of Ethyl 4-(3,3-dimethyl-2-oxoazetidin-1-yl)benzoate
Property Insights of Ethyl 4-(3,3-dimethyl-2-oxoazetidin-1-yl)benzoate
The XLogP value of 2.2361 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(3,3-dimethyl-2-oxoazetidin-1-yl)benzoate. With a topological polar surface area (TPSA) of 46.61 Ų, Ethyl 4-(3,3-dimethyl-2-oxoazetidin-1-yl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-(3,3-dimethyl-2-oxoazetidin-1-yl)benzoate 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 Ethyl 4-(3,3-dimethyl-2-oxoazetidin-1-yl)benzoate?
The CAS number of Ethyl 4-(3,3-dimethyl-2-oxoazetidin-1-yl)benzoate is 341965-86-4.
What is the molecular formula of Ethyl 4-(3,3-dimethyl-2-oxoazetidin-1-yl)benzoate?
The molecular formula of Ethyl 4-(3,3-dimethyl-2-oxoazetidin-1-yl)benzoate is C14H17NO3.
What is the molecular weight of Ethyl 4-(3,3-dimethyl-2-oxoazetidin-1-yl)benzoate?
The molecular weight of Ethyl 4-(3,3-dimethyl-2-oxoazetidin-1-yl)benzoate is 247.12 g/mol.
Where can I buy Ethyl 4-(3,3-dimethyl-2-oxoazetidin-1-yl)benzoate?
You can request a quote for Ethyl 4-(3,3-dimethyl-2-oxoazetidin-1-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-(3,3-dimethyl-2-oxoazetidin-1-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(3,3-dimethyl-2-oxoazetidin-1-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.