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 372.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C22H16N2O2S |
|---|---|
| Molecular Weight | 372.09 g/mol |
| LogP | 3.8459 |
| Topological Polar Surface Area | 52.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 372.09326 |
| Heavy Atoms | 27 |
| Complexity | 1085.7487 |
Chemical Identifiers
| CAS Number | 1044245-27-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=S)C(=C(C2=CC3=CC=CC=C3O2)[O-])[N+]4=CC=CC=C4 |
Product Overview
3-anilino-1-(1-benzofuran-2-yl)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate (CAS 1044245-27-3), with molecular formula C22H16N2O2S and molecular weight 372.09 g/mol. IUPAC: 3-anilino-1-(1-benzofuran-2-yl)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate.
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 3.8459 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. With a topological polar surface area (TPSA) of 52.11 Ų, 3-anilino-1-(1-benzofuran-2-yl)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. 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), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
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 372.09 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-anilino-1-(1-benzofuran-2-yl)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate?
Yes, KEHONG BIO 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.