3-(3,3-Dimethyl-2-oxo-1-azetanyl)-2-thiophenecarboxylic acid
TL;DR: 3-(3,3-Dimethyl-2-oxo-1-azetanyl)-2-thiophenecarboxylic acid (CAS 866156-12-9) is a chemical compound with molecular formula C10H11NO3S and molecular weight 225.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,3-dimethyl-2-oxoazetidin-1-yl)thiophene-2-carboxylic acid
Also Known As: 3-(3,3-dimethyl-2-oxo-1-azetanyl)-2-thiophenecarboxylic acid, 3-(3,3-dimethyl-2-oxoazetidin-1-yl)thiophene-2-carboxylic acid, 3-(3,3-dimethyl-2-oxo-azetidin-1-yl)thiophene-2-carboxylic Acid, 3-(3,3-dimethyl-2-oxoazetidin-1-yl)thiophene-2-carboxylicacid
| Molecular Formula | C10H11NO3S |
|---|---|
| Molecular Weight | 225.05 g/mol |
| LogP | 1.8191 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 225.04596 |
| Heavy Atoms | 15 |
| Complexity | 435.63083 |
Chemical Identifiers
| CAS Number | 866156-12-9 |
|---|---|
| SMILES | CC1(CN(C1=O)C2=C(SC=C2)C(=O)O)C |
Product Overview
3-(3,3-Dimethyl-2-oxo-1-azetanyl)-2-thiophenecarboxylic acid (CAS 866156-12-9), with molecular formula C10H11NO3S and molecular weight 225.05 g/mol. IUPAC: 3-(3,3-dimethyl-2-oxoazetidin-1-yl)thiophene-2-carboxylic acid.
Chemical Property Profile of 3-(3,3-Dimethyl-2-oxo-1-azetanyl)-2-thiophenecarboxylic acid
Property Insights of 3-(3,3-Dimethyl-2-oxo-1-azetanyl)-2-thiophenecarboxylic acid
The XLogP value of 1.8191 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3,3-Dimethyl-2-oxo-1-azetanyl)-2-thiophenecarboxylic acid. With a topological polar surface area (TPSA) of 57.61 Ų, 3-(3,3-Dimethyl-2-oxo-1-azetanyl)-2-thiophenecarboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3,3-Dimethyl-2-oxo-1-azetanyl)-2-thiophenecarboxylic acid has 1 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 3-(3,3-Dimethyl-2-oxo-1-azetanyl)-2-thiophenecarboxylic acid?
The CAS number of 3-(3,3-Dimethyl-2-oxo-1-azetanyl)-2-thiophenecarboxylic acid is 866156-12-9.
What is the molecular formula of 3-(3,3-Dimethyl-2-oxo-1-azetanyl)-2-thiophenecarboxylic acid?
The molecular formula of 3-(3,3-Dimethyl-2-oxo-1-azetanyl)-2-thiophenecarboxylic acid is C10H11NO3S.
What is the molecular weight of 3-(3,3-Dimethyl-2-oxo-1-azetanyl)-2-thiophenecarboxylic acid?
The molecular weight of 3-(3,3-Dimethyl-2-oxo-1-azetanyl)-2-thiophenecarboxylic acid is 225.05 g/mol.
Where can I buy 3-(3,3-Dimethyl-2-oxo-1-azetanyl)-2-thiophenecarboxylic acid?
You can request a quote for 3-(3,3-Dimethyl-2-oxo-1-azetanyl)-2-thiophenecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3,3-Dimethyl-2-oxo-1-azetanyl)-2-thiophenecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,3-Dimethyl-2-oxo-1-azetanyl)-2-thiophenecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.