(E)-2-(2-(5-((4-chlorophenyl)thio)furan-2-yl)vinyl)-6-hydroxy-5-nitropyrimidin-4(3H)-one
TL;DR: (E)-2-(2-(5-((4-chlorophenyl)thio)furan-2-yl)vinyl)-6-hydroxy-5-nitropyrimidin-4(3H)-one (CAS 708291-12-7) is a chemical compound with molecular formula C16H10ClN3O5S and molecular weight 391.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(E)-2-[5-(4-chlorophenyl)sulfanylfuran-2-yl]ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one
Also Known As: (E)-2-(2-(5-((4-chlorophenyl)thio)furan-2-yl)vinyl)-6-hydroxy-5-nitropyrimidin-4(3H)-one, 2-(2-{5-[(4-chlorophenyl)thio]-2-furyl}vinyl)-6-hydroxy-5-nitro-4(3H)-pyrimidinone, 2-[(E)-2-{5-[(4-chlorophenyl)sulfanyl]furan-2-yl}ethenyl]-5-nitropyrimidine-4,6-diol, 2-[2-[5-(4-chlorophenyl)sulfanyl-2-furyl]ethenyl]-6-hydroxy-5-nitro-3H-pyrimidin-4-one, 2-[(E)-2-[5-(4-chlorophenyl)sulfanylfuran-2-yl]ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one
| Molecular Formula | C16H10ClN3O5S |
|---|---|
| Molecular Weight | 391.00 g/mol |
| LogP | 3.9517 |
| Topological Polar Surface Area | 122.26 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 391.00296 |
| Heavy Atoms | 26 |
| Complexity | 1042.7839 |
Chemical Identifiers
| CAS Number | 708291-12-7 |
|---|---|
| SMILES | C1=CC(=CC=C1SC2=CC=C(O2)/C=C/C3=NC(=C(C(=O)N3)[N+](=O)[O-])O)Cl |
Product Overview
(E)-2-(2-(5-((4-chlorophenyl)thio)furan-2-yl)vinyl)-6-hydroxy-5-nitropyrimidin-4(3H)-one (CAS 708291-12-7), with molecular formula C16H10ClN3O5S and molecular weight 391.00 g/mol. IUPAC: 2-[(E)-2-[5-(4-chlorophenyl)sulfanylfuran-2-yl]ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one.
Chemical Property Profile of (E)-2-(2-(5-((4-chlorophenyl)thio)furan-2-yl)vinyl)-6-hydroxy-5-nitropyrimidin-4(3H)-one
Property Insights of (E)-2-(2-(5-((4-chlorophenyl)thio)furan-2-yl)vinyl)-6-hydroxy-5-nitropyrimidin-4(3H)-one
The XLogP value of 3.9517 indicates that (E)-2-(2-(5-((4-chlorophenyl)thio)furan-2-yl)vinyl)-6-hydroxy-5-nitropyrimidin-4(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.26 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-(2-(5-((4-chlorophenyl)thio)furan-2-yl)vinyl)-6-hydroxy-5-nitropyrimidin-4(3H)-one. Following Lipinski's Rule of Five, (E)-2-(2-(5-((4-chlorophenyl)thio)furan-2-yl)vinyl)-6-hydroxy-5-nitropyrimidin-4(3H)-one has 2 hydrogen bond donor(s) and 7 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 (E)-2-(2-(5-((4-chlorophenyl)thio)furan-2-yl)vinyl)-6-hydroxy-5-nitropyrimidin-4(3H)-one?
The CAS number of (E)-2-(2-(5-((4-chlorophenyl)thio)furan-2-yl)vinyl)-6-hydroxy-5-nitropyrimidin-4(3H)-one is 708291-12-7.
What is the molecular formula of (E)-2-(2-(5-((4-chlorophenyl)thio)furan-2-yl)vinyl)-6-hydroxy-5-nitropyrimidin-4(3H)-one?
The molecular formula of (E)-2-(2-(5-((4-chlorophenyl)thio)furan-2-yl)vinyl)-6-hydroxy-5-nitropyrimidin-4(3H)-one is C16H10ClN3O5S.
What is the molecular weight of (E)-2-(2-(5-((4-chlorophenyl)thio)furan-2-yl)vinyl)-6-hydroxy-5-nitropyrimidin-4(3H)-one?
The molecular weight of (E)-2-(2-(5-((4-chlorophenyl)thio)furan-2-yl)vinyl)-6-hydroxy-5-nitropyrimidin-4(3H)-one is 391.00 g/mol.
Where can I buy (E)-2-(2-(5-((4-chlorophenyl)thio)furan-2-yl)vinyl)-6-hydroxy-5-nitropyrimidin-4(3H)-one?
You can request a quote for (E)-2-(2-(5-((4-chlorophenyl)thio)furan-2-yl)vinyl)-6-hydroxy-5-nitropyrimidin-4(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-(2-(5-((4-chlorophenyl)thio)furan-2-yl)vinyl)-6-hydroxy-5-nitropyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(2-(5-((4-chlorophenyl)thio)furan-2-yl)vinyl)-6-hydroxy-5-nitropyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.