![2-[5-(4-methyl-2-nitrophenyl)(2-furyl)]-6-oxo-3-phenyl-4-sulfanyl-1,2,3-trihyd ropyrimidine-5-carbonitrile structure](/static/products/488/488101-79-7.png)
2-[5-(4-methyl-2-nitrophenyl)(2-furyl)]-6-oxo-3-phenyl-4-sulfanyl-1,2,3-trihyd ropyrimidine-5-carbonitrile
TL;DR: 2-[5-(4-methyl-2-nitrophenyl)(2-furyl)]-6-oxo-3-phenyl-4-sulfanyl-1,2,3-trihyd ropyrimidine-5-carbonitrile (CAS 488101-79-7) is a chemical compound with molecular formula C22H16N4O4S and molecular weight 432.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-(4-methyl-2-nitrophenyl)furan-2-yl]-6-oxo-3-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile
Also Known As: 2-[5-(4-methyl-2-nitrophenyl)(2-furyl)]-6-oxo-3-phenyl-4-sulfanyl-1,2,3-trihyd ropyrimidine-5-carbonitrile, 2-[5-(4-methyl-2-nitrophenyl)furan-2-yl]-4-oxo-1-phenyl-6-sulfanyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile, 2-[5-(4-methyl-2-nitrophenyl)furan-2-yl]-6-oxo-3-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile, 6-mercapto-2-(5-(4-methyl-2-nitrophenyl)furan-2-yl)-4-oxo-1-phenyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
| Molecular Formula | C22H16N4O4S |
|---|---|
| Molecular Weight | 432.09 g/mol |
| LogP | 4.4632 |
| Topological Polar Surface Area | 112.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 432.08923 |
| Heavy Atoms | 31 |
| Complexity | 1260.0154 |
Chemical Identifiers
| CAS Number | 488101-79-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C2=CC=C(O2)C3NC(=O)C(=C(N3C4=CC=CC=C4)S)C#N)[N+](=O)[O-] |
Product Overview
2-[5-(4-methyl-2-nitrophenyl)(2-furyl)]-6-oxo-3-phenyl-4-sulfanyl-1,2,3-trihyd ropyrimidine-5-carbonitrile (CAS 488101-79-7), with molecular formula C22H16N4O4S and molecular weight 432.09 g/mol. IUPAC: 2-[5-(4-methyl-2-nitrophenyl)furan-2-yl]-6-oxo-3-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile.
Chemical Property Profile of 2-[5-(4-methyl-2-nitrophenyl)(2-furyl)]-6-oxo-3-phenyl-4-sulfanyl-1,2,3-trihyd ropyrimidine-5-carbonitrile
Property Insights of 2-[5-(4-methyl-2-nitrophenyl)(2-furyl)]-6-oxo-3-phenyl-4-sulfanyl-1,2,3-trihyd ropyrimidine-5-carbonitrile
The XLogP value of 4.4632 indicates that 2-[5-(4-methyl-2-nitrophenyl)(2-furyl)]-6-oxo-3-phenyl-4-sulfanyl-1,2,3-trihyd ropyrimidine-5-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.41 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[5-(4-methyl-2-nitrophenyl)(2-furyl)]-6-oxo-3-phenyl-4-sulfanyl-1,2,3-trihyd ropyrimidine-5-carbonitrile. Following Lipinski's Rule of Five, 2-[5-(4-methyl-2-nitrophenyl)(2-furyl)]-6-oxo-3-phenyl-4-sulfanyl-1,2,3-trihyd ropyrimidine-5-carbonitrile 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 2-[5-(4-methyl-2-nitrophenyl)(2-furyl)]-6-oxo-3-phenyl-4-sulfanyl-1,2,3-trihyd ropyrimidine-5-carbonitrile?
The CAS number of 2-[5-(4-methyl-2-nitrophenyl)(2-furyl)]-6-oxo-3-phenyl-4-sulfanyl-1,2,3-trihyd ropyrimidine-5-carbonitrile is 488101-79-7.
What is the molecular formula of 2-[5-(4-methyl-2-nitrophenyl)(2-furyl)]-6-oxo-3-phenyl-4-sulfanyl-1,2,3-trihyd ropyrimidine-5-carbonitrile?
The molecular formula of 2-[5-(4-methyl-2-nitrophenyl)(2-furyl)]-6-oxo-3-phenyl-4-sulfanyl-1,2,3-trihyd ropyrimidine-5-carbonitrile is C22H16N4O4S.
What is the molecular weight of 2-[5-(4-methyl-2-nitrophenyl)(2-furyl)]-6-oxo-3-phenyl-4-sulfanyl-1,2,3-trihyd ropyrimidine-5-carbonitrile?
The molecular weight of 2-[5-(4-methyl-2-nitrophenyl)(2-furyl)]-6-oxo-3-phenyl-4-sulfanyl-1,2,3-trihyd ropyrimidine-5-carbonitrile is 432.09 g/mol.
Where can I buy 2-[5-(4-methyl-2-nitrophenyl)(2-furyl)]-6-oxo-3-phenyl-4-sulfanyl-1,2,3-trihyd ropyrimidine-5-carbonitrile?
You can request a quote for 2-[5-(4-methyl-2-nitrophenyl)(2-furyl)]-6-oxo-3-phenyl-4-sulfanyl-1,2,3-trihyd ropyrimidine-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[5-(4-methyl-2-nitrophenyl)(2-furyl)]-6-oxo-3-phenyl-4-sulfanyl-1,2,3-trihyd ropyrimidine-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[5-(4-methyl-2-nitrophenyl)(2-furyl)]-6-oxo-3-phenyl-4-sulfanyl-1,2,3-trihyd ropyrimidine-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.