Methyl 2-(3,3-dimethyl-2-oxoazetidin-1-yl)benzoate
TL;DR: Methyl 2-(3,3-dimethyl-2-oxoazetidin-1-yl)benzoate (CAS 339100-88-8) is a chemical compound with molecular formula C13H15NO3 and molecular weight 233.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(3,3-dimethyl-2-oxoazetidin-1-yl)benzoate
Also Known As: Bionet2_000829, methyl 2-(3,3-dimethyl-2-oxoazetidin-1-yl)benzoate, methyl 2-(3,3-dimethyl-2-oxo-1-azetanyl)benzenecarboxylate, 8L-744, methyl2-(3,3-dimethyl-2-oxoazetidin-1-yl)benzoate
| Molecular Formula | C13H15NO3 |
|---|---|
| Molecular Weight | 233.11 g/mol |
| LogP | 1.846 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 233.1052 |
| Heavy Atoms | 17 |
| Complexity | 479.30786 |
Chemical Identifiers
| CAS Number | 339100-88-8 |
|---|---|
| SMILES | CC1(CN(C1=O)C2=CC=CC=C2C(=O)OC)C |
Product Overview
Methyl 2-(3,3-dimethyl-2-oxoazetidin-1-yl)benzoate (CAS 339100-88-8), with molecular formula C13H15NO3 and molecular weight 233.11 g/mol. IUPAC: methyl 2-(3,3-dimethyl-2-oxoazetidin-1-yl)benzoate.
Chemical Property Profile of Methyl 2-(3,3-dimethyl-2-oxoazetidin-1-yl)benzoate
Property Insights of Methyl 2-(3,3-dimethyl-2-oxoazetidin-1-yl)benzoate
The XLogP value of 1.846 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(3,3-dimethyl-2-oxoazetidin-1-yl)benzoate. With a topological polar surface area (TPSA) of 46.61 Ų, Methyl 2-(3,3-dimethyl-2-oxoazetidin-1-yl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-(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 Methyl 2-(3,3-dimethyl-2-oxoazetidin-1-yl)benzoate?
The CAS number of Methyl 2-(3,3-dimethyl-2-oxoazetidin-1-yl)benzoate is 339100-88-8.
What is the molecular formula of Methyl 2-(3,3-dimethyl-2-oxoazetidin-1-yl)benzoate?
The molecular formula of Methyl 2-(3,3-dimethyl-2-oxoazetidin-1-yl)benzoate is C13H15NO3.
What is the molecular weight of Methyl 2-(3,3-dimethyl-2-oxoazetidin-1-yl)benzoate?
The molecular weight of Methyl 2-(3,3-dimethyl-2-oxoazetidin-1-yl)benzoate is 233.11 g/mol.
Where can I buy Methyl 2-(3,3-dimethyl-2-oxoazetidin-1-yl)benzoate?
You can request a quote for Methyl 2-(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 Methyl 2-(3,3-dimethyl-2-oxoazetidin-1-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(3,3-dimethyl-2-oxoazetidin-1-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.