3-(Ethylamino)-1-phenyl-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate
TL;DR: 3-(Ethylamino)-1-phenyl-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate (CAS 369607-77-2) is a chemical compound with molecular formula C16H16N2OS and molecular weight 284.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(ethylamino)-1-phenyl-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate
Also Known As: 2-(ethylthiocarbamoyl)-1-phenyl-2-pyridin-1-yl-ethenolate, 3-(ethylamino)-1-phenyl-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate
| Molecular Formula | C16H16N2OS |
|---|---|
| Molecular Weight | 284.10 g/mol |
| LogP | 1.5971 |
| Topological Polar Surface Area | 38.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 284.09833 |
| Heavy Atoms | 20 |
| Complexity | 608.88873 |
Chemical Identifiers
| CAS Number | 369607-77-2 |
|---|---|
| SMILES | CCNC(=S)C(=C(C1=CC=CC=C1)[O-])[N+]2=CC=CC=C2 |
Product Overview
3-(Ethylamino)-1-phenyl-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate (CAS 369607-77-2), with molecular formula C16H16N2OS and molecular weight 284.10 g/mol. IUPAC: 3-(ethylamino)-1-phenyl-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate.
Chemical Property Profile of 3-(Ethylamino)-1-phenyl-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate
Property Insights of 3-(Ethylamino)-1-phenyl-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate
The XLogP value of 1.5971 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Ethylamino)-1-phenyl-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate. With a topological polar surface area (TPSA) of 38.97 Ų, 3-(Ethylamino)-1-phenyl-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-(Ethylamino)-1-phenyl-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate has 1 hydrogen bond donor(s) and 2 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-(Ethylamino)-1-phenyl-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate?
The CAS number of 3-(Ethylamino)-1-phenyl-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate is 369607-77-2.
What is the molecular formula of 3-(Ethylamino)-1-phenyl-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate?
The molecular formula of 3-(Ethylamino)-1-phenyl-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate is C16H16N2OS.
What is the molecular weight of 3-(Ethylamino)-1-phenyl-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate?
The molecular weight of 3-(Ethylamino)-1-phenyl-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate is 284.10 g/mol.
Where can I buy 3-(Ethylamino)-1-phenyl-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate?
You can request a quote for 3-(Ethylamino)-1-phenyl-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-(Ethylamino)-1-phenyl-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate?
Yes, KEHONG BIO provides custom synthesis services for 3-(Ethylamino)-1-phenyl-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.