2-(Acetoacetamido)benzothiazole
TL;DR: 2-(Acetoacetamido)benzothiazole (CAS 4692-94-8) is a chemical compound with molecular formula C11H10N2O2S and molecular weight 234.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzothiazol-2-yl)-3-oxobutanamide
Also Known As: N-(2-Benzothiazolyl)-acetoacetamide, 2-(Acetoacetamido)benzothiazole, ACETOACETAMIDE, N-(2-BENZOTHIAZOLYL)-, Butanamide, N-2-benzothiazolyl-3-oxo-, N- -ACETOACETAMIDE
| Molecular Formula | C11H10N2O2S |
|---|---|
| Molecular Weight | 234.05 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 87.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 234.0463 |
| Heavy Atoms | 16 |
| Complexity | 296.0 |
Chemical Identifiers
| CAS Number | 4692-94-8 |
|---|---|
| SMILES | CC(=O)CC(=O)NC1=NC2=CC=CC=C2S1 |
| InChIKey | KRVAVIMTIIEASB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Acetoacetamido)benzothiazole (CAS 4692-94-8), with molecular formula C11H10N2O2S and molecular weight 234.05 g/mol. IUPAC: N-(1,3-benzothiazol-2-yl)-3-oxobutanamide.
Chemical Property Profile of 2-(Acetoacetamido)benzothiazole
Property Insights of 2-(Acetoacetamido)benzothiazole
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Acetoacetamido)benzothiazole. The TPSA of 87.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Acetoacetamido)benzothiazole. Following Lipinski's Rule of Five, 2-(Acetoacetamido)benzothiazole has 1 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 2-(Acetoacetamido)benzothiazole?
The CAS number of 2-(Acetoacetamido)benzothiazole is 4692-94-8.
What is the molecular formula of 2-(Acetoacetamido)benzothiazole?
The molecular formula of 2-(Acetoacetamido)benzothiazole is C11H10N2O2S.
What is the molecular weight of 2-(Acetoacetamido)benzothiazole?
The molecular weight of 2-(Acetoacetamido)benzothiazole is 234.05 g/mol.
Where can I buy 2-(Acetoacetamido)benzothiazole?
You can request a quote for 2-(Acetoacetamido)benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Acetoacetamido)benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(Acetoacetamido)benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.