1-(4-chlorophenyl)-2-(prop-2-enylthiocarbamoyl)-2-pyridin-1-yl-ethenolate
TL;DR: 1-(4-chlorophenyl)-2-(prop-2-enylthiocarbamoyl)-2-pyridin-1-yl-ethenolate (CAS 1093222-53-7) is a chemical compound with molecular formula C17H15ClN2OS and molecular weight 330.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-3-(prop-2-enylamino)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate
Also Known As: 1-(4-chlorophenyl)-2-(prop-2-enylthiocarbamoyl)-2-pyridin-1-yl-ethenolate, 1-(4-chlorophenyl)-3-(prop-2-enylamino)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate
| Molecular Formula | C17H15ClN2OS |
|---|---|
| Molecular Weight | 330.06 g/mol |
| LogP | 2.4166 |
| Topological Polar Surface Area | 38.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 330.05936 |
| Heavy Atoms | 22 |
| Complexity | 696.3587 |
Chemical Identifiers
| CAS Number | 1093222-53-7 |
|---|---|
| SMILES | C=CCNC(=S)C(=C(C1=CC=C(C=C1)Cl)[O-])[N+]2=CC=CC=C2 |
Product Overview
1-(4-chlorophenyl)-2-(prop-2-enylthiocarbamoyl)-2-pyridin-1-yl-ethenolate (CAS 1093222-53-7), with molecular formula C17H15ClN2OS and molecular weight 330.06 g/mol. IUPAC: 1-(4-chlorophenyl)-3-(prop-2-enylamino)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate.
Chemical Property Profile of 1-(4-chlorophenyl)-2-(prop-2-enylthiocarbamoyl)-2-pyridin-1-yl-ethenolate
Property Insights of 1-(4-chlorophenyl)-2-(prop-2-enylthiocarbamoyl)-2-pyridin-1-yl-ethenolate
The XLogP value of 2.4166 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-chlorophenyl)-2-(prop-2-enylthiocarbamoyl)-2-pyridin-1-yl-ethenolate. With a topological polar surface area (TPSA) of 38.97 Ų, 1-(4-chlorophenyl)-2-(prop-2-enylthiocarbamoyl)-2-pyridin-1-yl-ethenolate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-chlorophenyl)-2-(prop-2-enylthiocarbamoyl)-2-pyridin-1-yl-ethenolate 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 1-(4-chlorophenyl)-2-(prop-2-enylthiocarbamoyl)-2-pyridin-1-yl-ethenolate?
The CAS number of 1-(4-chlorophenyl)-2-(prop-2-enylthiocarbamoyl)-2-pyridin-1-yl-ethenolate is 1093222-53-7.
What is the molecular formula of 1-(4-chlorophenyl)-2-(prop-2-enylthiocarbamoyl)-2-pyridin-1-yl-ethenolate?
The molecular formula of 1-(4-chlorophenyl)-2-(prop-2-enylthiocarbamoyl)-2-pyridin-1-yl-ethenolate is C17H15ClN2OS.
What is the molecular weight of 1-(4-chlorophenyl)-2-(prop-2-enylthiocarbamoyl)-2-pyridin-1-yl-ethenolate?
The molecular weight of 1-(4-chlorophenyl)-2-(prop-2-enylthiocarbamoyl)-2-pyridin-1-yl-ethenolate is 330.06 g/mol.
Where can I buy 1-(4-chlorophenyl)-2-(prop-2-enylthiocarbamoyl)-2-pyridin-1-yl-ethenolate?
You can request a quote for 1-(4-chlorophenyl)-2-(prop-2-enylthiocarbamoyl)-2-pyridin-1-yl-ethenolate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-chlorophenyl)-2-(prop-2-enylthiocarbamoyl)-2-pyridin-1-yl-ethenolate?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-chlorophenyl)-2-(prop-2-enylthiocarbamoyl)-2-pyridin-1-yl-ethenolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.