(E)-2-(2-(5-(4-chlorophenyl)furan-2-yl)vinyl)-6-mercapto-4-oxo-1-phenyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
TL;DR: (E)-2-(2-(5-(4-chlorophenyl)furan-2-yl)vinyl)-6-mercapto-4-oxo-1-phenyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile (CAS 488733-11-5) is a chemical compound with molecular formula C23H16ClN3O2S and molecular weight 433.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(E)-2-[5-(4-chlorophenyl)furan-2-yl]ethenyl]-6-oxo-3-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile
Also Known As: (E)-2-(2-(5-(4-chlorophenyl)furan-2-yl)vinyl)-6-mercapto-4-oxo-1-phenyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile, 2-[(E)-2-[5-(4-chlorophenyl)furan-2-yl]ethenyl]-6-oxo-3-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile, 2-{(1E)-2-[5-(4-chlorophenyl)(2-furyl)]vinyl}-6-oxo-3-phenyl-4-sulfanyl-1,2,3- trihydropyrimidine-5-carbonitrile, 2-{(E)-2-[5-(4-chlorophenyl)furan-2-yl]ethenyl}-4-oxo-1-phenyl-6-sulfanyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
| Molecular Formula | C23H16ClN3O2S |
|---|---|
| Molecular Weight | 433.07 g/mol |
| LogP | 5.24068 |
| Topological Polar Surface Area | 69.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 433.0652 |
| Heavy Atoms | 30 |
| Complexity | 1177.1622 |
Chemical Identifiers
| CAS Number | 488733-11-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(NC(=O)C(=C2S)C#N)/C=C/C3=CC=C(O3)C4=CC=C(C=C4)Cl |
Product Overview
(E)-2-(2-(5-(4-chlorophenyl)furan-2-yl)vinyl)-6-mercapto-4-oxo-1-phenyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile (CAS 488733-11-5), with molecular formula C23H16ClN3O2S and molecular weight 433.07 g/mol. IUPAC: 2-[(E)-2-[5-(4-chlorophenyl)furan-2-yl]ethenyl]-6-oxo-3-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile.
Chemical Property Profile of (E)-2-(2-(5-(4-chlorophenyl)furan-2-yl)vinyl)-6-mercapto-4-oxo-1-phenyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
Property Insights of (E)-2-(2-(5-(4-chlorophenyl)furan-2-yl)vinyl)-6-mercapto-4-oxo-1-phenyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
The XLogP value of 5.24068 indicates that (E)-2-(2-(5-(4-chlorophenyl)furan-2-yl)vinyl)-6-mercapto-4-oxo-1-phenyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.27 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-(2-(5-(4-chlorophenyl)furan-2-yl)vinyl)-6-mercapto-4-oxo-1-phenyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile. Following Lipinski's Rule of Five, (E)-2-(2-(5-(4-chlorophenyl)furan-2-yl)vinyl)-6-mercapto-4-oxo-1-phenyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-2-(2-(5-(4-chlorophenyl)furan-2-yl)vinyl)-6-mercapto-4-oxo-1-phenyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile?
The CAS number of (E)-2-(2-(5-(4-chlorophenyl)furan-2-yl)vinyl)-6-mercapto-4-oxo-1-phenyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile is 488733-11-5.
What is the molecular formula of (E)-2-(2-(5-(4-chlorophenyl)furan-2-yl)vinyl)-6-mercapto-4-oxo-1-phenyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile?
The molecular formula of (E)-2-(2-(5-(4-chlorophenyl)furan-2-yl)vinyl)-6-mercapto-4-oxo-1-phenyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile is C23H16ClN3O2S.
What is the molecular weight of (E)-2-(2-(5-(4-chlorophenyl)furan-2-yl)vinyl)-6-mercapto-4-oxo-1-phenyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile?
The molecular weight of (E)-2-(2-(5-(4-chlorophenyl)furan-2-yl)vinyl)-6-mercapto-4-oxo-1-phenyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile is 433.07 g/mol.
Where can I buy (E)-2-(2-(5-(4-chlorophenyl)furan-2-yl)vinyl)-6-mercapto-4-oxo-1-phenyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile?
You can request a quote for (E)-2-(2-(5-(4-chlorophenyl)furan-2-yl)vinyl)-6-mercapto-4-oxo-1-phenyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile 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)furan-2-yl)vinyl)-6-mercapto-4-oxo-1-phenyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(2-(5-(4-chlorophenyl)furan-2-yl)vinyl)-6-mercapto-4-oxo-1-phenyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.