(2E)-N-(6-nitro-1,3-benzothiazol-2-yl)-3-phenylprop-2-enamide
TL;DR: (2E)-N-(6-nitro-1,3-benzothiazol-2-yl)-3-phenylprop-2-enamide (CAS 1374874-62-0) is a chemical compound with molecular formula C16H11N3O3S and molecular weight 325.05212 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-N-(6-nitro-1,3-benzothiazol-2-yl)-3-phenylprop-2-enamide
Also Known As: N-(6-nitrobenzo[d]thiazol-2-yl)cinnamamide, (2E)-N-(6-nitro-1,3-benzothiazol-2-yl)-3-phenylprop-2-enamide, (E)-N-(6-nitro-1,3-benzothiazol-2-yl)-3-phenylprop-2-enamide, (2E)-N-[(2E)-6-nitro-1,3-benzothiazol-2(3H)-ylidene]-3-phenylprop-2-enamide
Technical Specifications
| Molecular Formula | C16H11N3O3S |
| Molecular Weight | 325.05212 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 116.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 325.05212 Da |
| Heavy Atoms | 23 |
| Complexity | 474.0 |
| SMILES | C1=CC=C(C=C1)/C=C/C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-] |
| InChIKey | JJNAOWYXQWCSGU-RMKNXTFCSA-N |
Chemical Property Profile of (2E)-N-(6-nitro-1,3-benzothiazol-2-yl)-3-phenylprop-2-enamide
Property Insights of (2E)-N-(6-nitro-1,3-benzothiazol-2-yl)-3-phenylprop-2-enamide
The XLogP value of 3.8 indicates that (2E)-N-(6-nitro-1,3-benzothiazol-2-yl)-3-phenylprop-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 (2E)-N-(6-nitro-1,3-benzothiazol-2-yl)-3-phenylprop-2-enamide. Following Lipinski's Rule of Five, (2E)-N-(6-nitro-1,3-benzothiazol-2-yl)-3-phenylprop-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
What is the CAS number of (2E)-N-(6-nitro-1,3-benzothiazol-2-yl)-3-phenylprop-2-enamide?
The CAS number of (2E)-N-(6-nitro-1,3-benzothiazol-2-yl)-3-phenylprop-2-enamide is 1374874-62-0.
What is the molecular formula of (2E)-N-(6-nitro-1,3-benzothiazol-2-yl)-3-phenylprop-2-enamide?
The molecular formula of (2E)-N-(6-nitro-1,3-benzothiazol-2-yl)-3-phenylprop-2-enamide is C16H11N3O3S.
What is the molecular weight of (2E)-N-(6-nitro-1,3-benzothiazol-2-yl)-3-phenylprop-2-enamide?
The molecular weight of (2E)-N-(6-nitro-1,3-benzothiazol-2-yl)-3-phenylprop-2-enamide is 325.05212 g/mol.
Where can I buy (2E)-N-(6-nitro-1,3-benzothiazol-2-yl)-3-phenylprop-2-enamide?
You can request a quote for (2E)-N-(6-nitro-1,3-benzothiazol-2-yl)-3-phenylprop-2-enamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (2E)-N-(6-nitro-1,3-benzothiazol-2-yl)-3-phenylprop-2-enamide?
Yes, CoreyChem provides custom synthesis services for (2E)-N-(6-nitro-1,3-benzothiazol-2-yl)-3-phenylprop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.