3-Oxo-N-2-thiazolylbutanamide
TL;DR: 3-Oxo-N-2-thiazolylbutanamide (CAS 705-87-3) is a chemical compound with molecular formula C7H8N2O2S and molecular weight 184.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-oxo-N-(1,3-thiazol-2-yl)butanamide
Also Known As: N-2-Thiazolylacetoacetamide, 3-oxo-N-(1,3-thiazol-2-yl)butanamide, 3-Oxo-N-(thiazol-2-yl)butanamide, N-(2-Thiazolyl)Acetoacetamide, 2-acetoacetamidothiazole
| Molecular Formula | C7H8N2O2S |
|---|---|
| Molecular Weight | 184.03 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 87.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 184.03065 |
| Heavy Atoms | 12 |
| Complexity | 196.0 |
Chemical Identifiers
| CAS Number | 705-87-3 |
|---|---|
| SMILES | CC(=O)CC(=O)NC1=NC=CS1 |
| InChIKey | IWMDVLIESVGDLX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Oxo-N-2-thiazolylbutanamide (CAS 705-87-3), with molecular formula C7H8N2O2S and molecular weight 184.03 g/mol. IUPAC: 3-oxo-N-(1,3-thiazol-2-yl)butanamide.
Chemical Property Profile of 3-Oxo-N-2-thiazolylbutanamide
Property Insights of 3-Oxo-N-2-thiazolylbutanamide
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Oxo-N-2-thiazolylbutanamide. The TPSA of 87.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Oxo-N-2-thiazolylbutanamide. Following Lipinski's Rule of Five, 3-Oxo-N-2-thiazolylbutanamide 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 3-Oxo-N-2-thiazolylbutanamide?
The CAS number of 3-Oxo-N-2-thiazolylbutanamide is 705-87-3.
What is the molecular formula of 3-Oxo-N-2-thiazolylbutanamide?
The molecular formula of 3-Oxo-N-2-thiazolylbutanamide is C7H8N2O2S.
What is the molecular weight of 3-Oxo-N-2-thiazolylbutanamide?
The molecular weight of 3-Oxo-N-2-thiazolylbutanamide is 184.03 g/mol.
Where can I buy 3-Oxo-N-2-thiazolylbutanamide?
You can request a quote for 3-Oxo-N-2-thiazolylbutanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Oxo-N-2-thiazolylbutanamide?
Yes, KEHONG BIO provides custom synthesis services for 3-Oxo-N-2-thiazolylbutanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.