2-(3-Nitrophenyl)-6-oxo-3-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile
TL;DR: 2-(3-Nitrophenyl)-6-oxo-3-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile (CAS 501351-40-2) is a chemical compound with molecular formula C17H12N4O3S and molecular weight 352.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-nitrophenyl)-6-oxo-3-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile
Also Known As: AS-871/41670047, 2-(3-nitrophenyl)-6-oxo-3-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile, 2-{3-nitrophenyl}-4-oxo-1-phenyl-6-sulfanyl-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile, 4-hydroxy-2-(3-nitrophenyl)-1-phenyl-6-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile, 6-mercapto-2-(3-nitrophenyl)-4-oxo-1-phenyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
| Molecular Formula | C17H12N4O3S |
|---|---|
| Molecular Weight | 352.06 g/mol |
| LogP | 2.89478 |
| Topological Polar Surface Area | 99.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 352.06302 |
| Heavy Atoms | 25 |
| Complexity | 920.99023 |
Chemical Identifiers
| CAS Number | 501351-40-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(NC(=O)C(=C2S)C#N)C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
2-(3-Nitrophenyl)-6-oxo-3-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile (CAS 501351-40-2), with molecular formula C17H12N4O3S and molecular weight 352.06 g/mol. IUPAC: 2-(3-nitrophenyl)-6-oxo-3-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile.
Chemical Property Profile of 2-(3-Nitrophenyl)-6-oxo-3-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile
Property Insights of 2-(3-Nitrophenyl)-6-oxo-3-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile
The XLogP value of 2.89478 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Nitrophenyl)-6-oxo-3-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile. The TPSA of 99.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Nitrophenyl)-6-oxo-3-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile. Following Lipinski's Rule of Five, 2-(3-Nitrophenyl)-6-oxo-3-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile has 2 hydrogen bond donor(s) and 6 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-(3-Nitrophenyl)-6-oxo-3-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile?
The CAS number of 2-(3-Nitrophenyl)-6-oxo-3-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile is 501351-40-2.
What is the molecular formula of 2-(3-Nitrophenyl)-6-oxo-3-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile?
The molecular formula of 2-(3-Nitrophenyl)-6-oxo-3-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile is C17H12N4O3S.
What is the molecular weight of 2-(3-Nitrophenyl)-6-oxo-3-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile?
The molecular weight of 2-(3-Nitrophenyl)-6-oxo-3-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile is 352.06 g/mol.
Where can I buy 2-(3-Nitrophenyl)-6-oxo-3-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile?
You can request a quote for 2-(3-Nitrophenyl)-6-oxo-3-phenyl-4-sulfanyl-1,2-dihydropyrimidine-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-(3-Nitrophenyl)-6-oxo-3-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Nitrophenyl)-6-oxo-3-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.