2-(3-{2-nitrophenyl}-2-propenylidene)-1-benzothiophen-3(2H)-one
TL;DR: 2-(3-{2-nitrophenyl}-2-propenylidene)-1-benzothiophen-3(2H)-one (CAS 331253-25-9) is a chemical compound with molecular formula C17H11NO3S and molecular weight 309.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-2-[(E)-3-(2-nitrophenyl)prop-2-enylidene]-1-benzothiophen-3-one
Also Known As: BAS 00349807, 2-(3-{2-nitrophenyl}-2-propenylidene)-1-benzothiophen-3(2H)-one, AB00076837-01, (2Z)-2-[(2E)-3-(2-nitrophenyl)prop-2-en-1-ylidene]-1-benzothiophen-3(2H)-one, 2-[3-(2-Nitro-phenyl)-allylidene]-benzo[b]thiophen-3-one
| Molecular Formula | C17H11NO3S |
|---|---|
| Molecular Weight | 309.05 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 88.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 309.04596 |
| Heavy Atoms | 22 |
| Complexity | 509.0 |
Chemical Identifiers
| CAS Number | 331253-25-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)/C=C/C=C\2/C(=O)C3=CC=CC=C3S2)[N+](=O)[O-] |
| InChIKey | ZCISVJNNVVQLFK-PFKGSKDKSA-N |
Product Overview
2-(3-{2-nitrophenyl}-2-propenylidene)-1-benzothiophen-3(2H)-one (CAS 331253-25-9), with molecular formula C17H11NO3S and molecular weight 309.05 g/mol. IUPAC: (2Z)-2-[(E)-3-(2-nitrophenyl)prop-2-enylidene]-1-benzothiophen-3-one.
Chemical Property Profile of 2-(3-{2-nitrophenyl}-2-propenylidene)-1-benzothiophen-3(2H)-one
Property Insights of 2-(3-{2-nitrophenyl}-2-propenylidene)-1-benzothiophen-3(2H)-one
The XLogP value of 4.6 indicates that 2-(3-{2-nitrophenyl}-2-propenylidene)-1-benzothiophen-3(2H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-{2-nitrophenyl}-2-propenylidene)-1-benzothiophen-3(2H)-one. Following Lipinski's Rule of Five, 2-(3-{2-nitrophenyl}-2-propenylidene)-1-benzothiophen-3(2H)-one has 0 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 2-(3-{2-nitrophenyl}-2-propenylidene)-1-benzothiophen-3(2H)-one?
The CAS number of 2-(3-{2-nitrophenyl}-2-propenylidene)-1-benzothiophen-3(2H)-one is 331253-25-9.
What is the molecular formula of 2-(3-{2-nitrophenyl}-2-propenylidene)-1-benzothiophen-3(2H)-one?
The molecular formula of 2-(3-{2-nitrophenyl}-2-propenylidene)-1-benzothiophen-3(2H)-one is C17H11NO3S.
What is the molecular weight of 2-(3-{2-nitrophenyl}-2-propenylidene)-1-benzothiophen-3(2H)-one?
The molecular weight of 2-(3-{2-nitrophenyl}-2-propenylidene)-1-benzothiophen-3(2H)-one is 309.05 g/mol.
Where can I buy 2-(3-{2-nitrophenyl}-2-propenylidene)-1-benzothiophen-3(2H)-one?
You can request a quote for 2-(3-{2-nitrophenyl}-2-propenylidene)-1-benzothiophen-3(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-{2-nitrophenyl}-2-propenylidene)-1-benzothiophen-3(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-{2-nitrophenyl}-2-propenylidene)-1-benzothiophen-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.