3-anilino-1-(1-benzofuran-2-yl)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate
TL;DR: 3-anilino-1-(1-benzofuran-2-yl)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate (CAS 1044245-27-3) is a chemical compound with molecular formula C22H16N2O2S and molecular weight 372.09326 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-anilino-1-(1-benzofuran-2-yl)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate
Also Known As: 3-anilino-1-(1-benzofuran-2-yl)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate
Technical Specifications
| Molecular Formula | C22H16N2O2S |
| Molecular Weight | 372.09326 g/mol |
| XLogP | 5.8 |
| Topological Polar Surface Area (TPSA) | 84.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 372.09326 Da |
| Heavy Atoms | 27 |
| Complexity | 553.0 |
| SMILES | C1=CC=C(C=C1)NC(=S)C(=C(C2=CC3=CC=CC=C3O2)[O-])[N+]4=CC=CC=C4 |
| InChIKey | IIJKOWFMFSYHME-UHFFFAOYSA-N |
Chemical Property Profile of 3-anilino-1-(1-benzofuran-2-yl)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate
Property Insights of 3-anilino-1-(1-benzofuran-2-yl)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate
The XLogP value of 5.8 indicates that 3-anilino-1-(1-benzofuran-2-yl)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-anilino-1-(1-benzofuran-2-yl)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate. Following Lipinski's Rule of Five, 3-anilino-1-(1-benzofuran-2-yl)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 3-anilino-1-(1-benzofuran-2-yl)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate?
The CAS number of 3-anilino-1-(1-benzofuran-2-yl)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate is 1044245-27-3.
What is the molecular formula of 3-anilino-1-(1-benzofuran-2-yl)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate?
The molecular formula of 3-anilino-1-(1-benzofuran-2-yl)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate is C22H16N2O2S.
What is the molecular weight of 3-anilino-1-(1-benzofuran-2-yl)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate?
The molecular weight of 3-anilino-1-(1-benzofuran-2-yl)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate is 372.09326 g/mol.
Where can I buy 3-anilino-1-(1-benzofuran-2-yl)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate?
You can request a quote for 3-anilino-1-(1-benzofuran-2-yl)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-anilino-1-(1-benzofuran-2-yl)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate?
Yes, CoreyChem provides custom synthesis services for 3-anilino-1-(1-benzofuran-2-yl)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.