(E)-N-(6-nitro-1,3-benzothiazol-2-yl)-3-thiophen-2-ylprop-2-enamide
TL;DR: (E)-N-(6-nitro-1,3-benzothiazol-2-yl)-3-thiophen-2-ylprop-2-enamide (CAS 476308-19-7) is a chemical compound with molecular formula C14H9N3O3S2 and molecular weight 331.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-(6-nitro-1,3-benzothiazol-2-yl)-3-thiophen-2-ylprop-2-enamide
Also Known As: (E)-N-(6-nitro-1,3-benzothiazol-2-yl)-3-thiophen-2-ylprop-2-enamide, N-{6-nitro-1,3-benzothiazol-2-yl}-3-(2-thienyl)acrylamide, (2E)-N-(6-nitrobenzothiazol-2-yl)-3-(2-thienyl)prop-2-enamide, (2E)-N-(6-nitro-1,3-benzothiazol-2-yl)-3-(thiophen-2-yl)prop-2-enamide
| Molecular Formula | C14H9N3O3S2 |
|---|---|
| Molecular Weight | 331.01 g/mol |
| LogP | 3.9179 |
| Topological Polar Surface Area | 85.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.00854 |
| Heavy Atoms | 22 |
| Complexity | 868.7305 |
Chemical Identifiers
| CAS Number | 476308-19-7 |
|---|---|
| SMILES | C1=CSC(=C1)/C=C/C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-] |
Product Overview
(E)-N-(6-nitro-1,3-benzothiazol-2-yl)-3-thiophen-2-ylprop-2-enamide (CAS 476308-19-7), with molecular formula C14H9N3O3S2 and molecular weight 331.01 g/mol. IUPAC: (E)-N-(6-nitro-1,3-benzothiazol-2-yl)-3-thiophen-2-ylprop-2-enamide.
Chemical Property Profile of (E)-N-(6-nitro-1,3-benzothiazol-2-yl)-3-thiophen-2-ylprop-2-enamide
Property Insights of (E)-N-(6-nitro-1,3-benzothiazol-2-yl)-3-thiophen-2-ylprop-2-enamide
The XLogP value of 3.9179 indicates that (E)-N-(6-nitro-1,3-benzothiazol-2-yl)-3-thiophen-2-ylprop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.13 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-N-(6-nitro-1,3-benzothiazol-2-yl)-3-thiophen-2-ylprop-2-enamide. Following Lipinski's Rule of Five, (E)-N-(6-nitro-1,3-benzothiazol-2-yl)-3-thiophen-2-ylprop-2-enamide has 1 hydrogen bond donor(s) and 6 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 (E)-N-(6-nitro-1,3-benzothiazol-2-yl)-3-thiophen-2-ylprop-2-enamide?
The CAS number of (E)-N-(6-nitro-1,3-benzothiazol-2-yl)-3-thiophen-2-ylprop-2-enamide is 476308-19-7.
What is the molecular formula of (E)-N-(6-nitro-1,3-benzothiazol-2-yl)-3-thiophen-2-ylprop-2-enamide?
The molecular formula of (E)-N-(6-nitro-1,3-benzothiazol-2-yl)-3-thiophen-2-ylprop-2-enamide is C14H9N3O3S2.
What is the molecular weight of (E)-N-(6-nitro-1,3-benzothiazol-2-yl)-3-thiophen-2-ylprop-2-enamide?
The molecular weight of (E)-N-(6-nitro-1,3-benzothiazol-2-yl)-3-thiophen-2-ylprop-2-enamide is 331.01 g/mol.
Where can I buy (E)-N-(6-nitro-1,3-benzothiazol-2-yl)-3-thiophen-2-ylprop-2-enamide?
You can request a quote for (E)-N-(6-nitro-1,3-benzothiazol-2-yl)-3-thiophen-2-ylprop-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-N-(6-nitro-1,3-benzothiazol-2-yl)-3-thiophen-2-ylprop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-N-(6-nitro-1,3-benzothiazol-2-yl)-3-thiophen-2-ylprop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.