3-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)but-2-enamide
TL;DR: 3-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)but-2-enamide (CAS 686281-57-2) is a chemical compound with molecular formula C12H11N3O3S and molecular weight 277.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)but-2-enamide
Also Known As: 3-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)but-2-enamide, 3-methyl-N-(6-nitrobenzo[d]thiazol-2-yl)but-2-enamide, 3-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)-2-butenamide, 3-methyl-N-(6-nitrobenzothiazol-2-yl)but-2-enamide, N-(6-nitro-1,3-benzothiazol-2-yl)-3-methyl-2-butenamide
| Molecular Formula | C12H11N3O3S |
|---|---|
| Molecular Weight | 277.05 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 277.05212 |
| Heavy Atoms | 19 |
| Complexity | 404.0 |
Chemical Identifiers
| CAS Number | 686281-57-2 |
|---|---|
| SMILES | CC(=CC(=O)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])C |
| InChIKey | MYARLIGRFLDRPX-UHFFFAOYSA-N |
Product Overview
3-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)but-2-enamide (CAS 686281-57-2), with molecular formula C12H11N3O3S and molecular weight 277.05 g/mol. IUPAC: 3-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)but-2-enamide.
Chemical Property Profile of 3-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)but-2-enamide
Property Insights of 3-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)but-2-enamide
The XLogP value of 3.4 indicates that 3-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)but-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)but-2-enamide. Following Lipinski's Rule of Five, 3-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)but-2-enamide 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 3-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)but-2-enamide?
The CAS number of 3-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)but-2-enamide is 686281-57-2.
What is the molecular formula of 3-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)but-2-enamide?
The molecular formula of 3-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)but-2-enamide is C12H11N3O3S.
What is the molecular weight of 3-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)but-2-enamide?
The molecular weight of 3-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)but-2-enamide is 277.05 g/mol.
Where can I buy 3-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)but-2-enamide?
You can request a quote for 3-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)but-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)but-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)but-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.