Methyl 3,5-bis(3,3-dimethyl-2-oxoazetidin-1-yl)benzoate
TL;DR: Methyl 3,5-bis(3,3-dimethyl-2-oxoazetidin-1-yl)benzoate (CAS 478261-94-8) is a chemical compound with molecular formula C18H22N2O4 and molecular weight 330.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3,5-bis(3,3-dimethyl-2-oxoazetidin-1-yl)benzoate
Also Known As: Bionet2_000961, methyl 3,5-bis(3,3-dimethyl-2-oxoazetidin-1-yl)benzoate, methyl 3,5-bis(3,3-dimethyl-2-oxo-1-azetanyl)benzenecarboxylate, 9L-736, methyl3,5-bis(3,3-dimethyl-2-oxoazetidin-1-yl)benzoate
| Molecular Formula | C18H22N2O4 |
|---|---|
| Molecular Weight | 330.16 g/mol |
| LogP | 2.2188 |
| Topological Polar Surface Area | 66.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 330.15796 |
| Heavy Atoms | 24 |
| Complexity | 699.1357 |
Chemical Identifiers
| CAS Number | 478261-94-8 |
|---|---|
| SMILES | CC1(CN(C1=O)C2=CC(=CC(=C2)C(=O)OC)N3CC(C3=O)(C)C)C |
Product Overview
Methyl 3,5-bis(3,3-dimethyl-2-oxoazetidin-1-yl)benzoate (CAS 478261-94-8), with molecular formula C18H22N2O4 and molecular weight 330.16 g/mol. IUPAC: methyl 3,5-bis(3,3-dimethyl-2-oxoazetidin-1-yl)benzoate.
Chemical Property Profile of Methyl 3,5-bis(3,3-dimethyl-2-oxoazetidin-1-yl)benzoate
Property Insights of Methyl 3,5-bis(3,3-dimethyl-2-oxoazetidin-1-yl)benzoate
The XLogP value of 2.2188 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3,5-bis(3,3-dimethyl-2-oxoazetidin-1-yl)benzoate. The TPSA of 66.92 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3,5-bis(3,3-dimethyl-2-oxoazetidin-1-yl)benzoate. Following Lipinski's Rule of Five, Methyl 3,5-bis(3,3-dimethyl-2-oxoazetidin-1-yl)benzoate has 0 hydrogen bond donor(s) and 4 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 3,5-bis(3,3-dimethyl-2-oxoazetidin-1-yl)benzoate?
The CAS number of Methyl 3,5-bis(3,3-dimethyl-2-oxoazetidin-1-yl)benzoate is 478261-94-8.
What is the molecular formula of Methyl 3,5-bis(3,3-dimethyl-2-oxoazetidin-1-yl)benzoate?
The molecular formula of Methyl 3,5-bis(3,3-dimethyl-2-oxoazetidin-1-yl)benzoate is C18H22N2O4.
What is the molecular weight of Methyl 3,5-bis(3,3-dimethyl-2-oxoazetidin-1-yl)benzoate?
The molecular weight of Methyl 3,5-bis(3,3-dimethyl-2-oxoazetidin-1-yl)benzoate is 330.16 g/mol.
Where can I buy Methyl 3,5-bis(3,3-dimethyl-2-oxoazetidin-1-yl)benzoate?
You can request a quote for Methyl 3,5-bis(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 3,5-bis(3,3-dimethyl-2-oxoazetidin-1-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3,5-bis(3,3-dimethyl-2-oxoazetidin-1-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.