5-Acetylamino-3-methyl-4-nitroisothiazole
TL;DR: 5-Acetylamino-3-methyl-4-nitroisothiazole (CAS 88394-22-3) is a chemical compound with molecular formula C6H7N3O3S and molecular weight 201.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-methyl-4-nitro-1,2-thiazol-5-yl)acetamide
Also Known As: 5-acetamido-3-methyl-4-nitroisothiazole, 5-Acetylamino-3-methyl-4-nitroisothiazole, N-(3-methyl-4-nitro-1,2-thiazol-5-yl)acetamide, N-(3-METHYL-4-NITRO-THIAZOL-5-YL)ACETAMIDE, N-(3-Methyl-4-nitro-1,2-thiazol-5-yl)ethanimidic acid
| Molecular Formula | C6H7N3O3S |
|---|---|
| Molecular Weight | 201.02 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 201.02081 |
| Heavy Atoms | 13 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 88394-22-3 |
|---|---|
| SMILES | CC1=NSC(=C1[N+](=O)[O-])NC(=O)C |
| InChIKey | OGWKKBVTBYBCOW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Acetylamino-3-methyl-4-nitroisothiazole (CAS 88394-22-3), with molecular formula C6H7N3O3S and molecular weight 201.02 g/mol. IUPAC: N-(3-methyl-4-nitro-1,2-thiazol-5-yl)acetamide.
Chemical Property Profile of 5-Acetylamino-3-methyl-4-nitroisothiazole
Property Insights of 5-Acetylamino-3-methyl-4-nitroisothiazole
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Acetylamino-3-methyl-4-nitroisothiazole. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Acetylamino-3-methyl-4-nitroisothiazole. Following Lipinski's Rule of Five, 5-Acetylamino-3-methyl-4-nitroisothiazole has 1 hydrogen bond donor(s) and 5 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 5-Acetylamino-3-methyl-4-nitroisothiazole?
The CAS number of 5-Acetylamino-3-methyl-4-nitroisothiazole is 88394-22-3.
What is the molecular formula of 5-Acetylamino-3-methyl-4-nitroisothiazole?
The molecular formula of 5-Acetylamino-3-methyl-4-nitroisothiazole is C6H7N3O3S.
What is the molecular weight of 5-Acetylamino-3-methyl-4-nitroisothiazole?
The molecular weight of 5-Acetylamino-3-methyl-4-nitroisothiazole is 201.02 g/mol.
Where can I buy 5-Acetylamino-3-methyl-4-nitroisothiazole?
You can request a quote for 5-Acetylamino-3-methyl-4-nitroisothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Acetylamino-3-methyl-4-nitroisothiazole?
Yes, KEHONG BIO provides custom synthesis services for 5-Acetylamino-3-methyl-4-nitroisothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.