3-Pyridinecarbonitrile, 1,2-dihydro-4-(3-nitrophenyl)-6-phenyl-2-thioxo-
TL;DR: 3-Pyridinecarbonitrile, 1,2-dihydro-4-(3-nitrophenyl)-6-phenyl-2-thioxo- (CAS 89451-45-6) is a chemical compound with molecular formula C18H11N3O2S and molecular weight 333.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-nitrophenyl)-6-phenyl-2-sulfanylidene-1H-pyridine-3-carbonitrile
Also Known As: 3-Cyano-4-(m-nitrophenyl)-6-phenylpyridine-2-thione, 3-Pyridinecarbonitrile, 1,2-dihydro-4-(3-nitrophenyl)-6-phenyl-2-thioxo-, 1,2-Dihydro-4-(3-nitrophenyl)-6-phenyl-2-thioxo-3-pyridinecarbonitrile, 4-(3-nitrophenyl)-6-phenyl-2-sulfanylidene-1H-pyridine-3-carbonitrile, 4-(3-Nitrophenyl)-6-phenyl-2-sulfanylidene-1,2-dihydropyridine-3-carbonitrile
| Molecular Formula | C18H11N3O2S |
|---|---|
| Molecular Weight | 333.06 g/mol |
| LogP | 4.85807 |
| Topological Polar Surface Area | 82.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 333.0572 |
| Heavy Atoms | 24 |
| Complexity | 1020.42413 |
Chemical Identifiers
| CAS Number | 89451-45-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC(=C(C(=S)N2)C#N)C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
3-Pyridinecarbonitrile, 1,2-dihydro-4-(3-nitrophenyl)-6-phenyl-2-thioxo- (CAS 89451-45-6), with molecular formula C18H11N3O2S and molecular weight 333.06 g/mol. IUPAC: 4-(3-nitrophenyl)-6-phenyl-2-sulfanylidene-1H-pyridine-3-carbonitrile.
Chemical Property Profile of 3-Pyridinecarbonitrile, 1,2-dihydro-4-(3-nitrophenyl)-6-phenyl-2-thioxo-
Property Insights of 3-Pyridinecarbonitrile, 1,2-dihydro-4-(3-nitrophenyl)-6-phenyl-2-thioxo-
The XLogP value of 4.85807 indicates that 3-Pyridinecarbonitrile, 1,2-dihydro-4-(3-nitrophenyl)-6-phenyl-2-thioxo- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.72 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Pyridinecarbonitrile, 1,2-dihydro-4-(3-nitrophenyl)-6-phenyl-2-thioxo-. Following Lipinski's Rule of Five, 3-Pyridinecarbonitrile, 1,2-dihydro-4-(3-nitrophenyl)-6-phenyl-2-thioxo- has 1 hydrogen bond donor(s) and 4 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 3-Pyridinecarbonitrile, 1,2-dihydro-4-(3-nitrophenyl)-6-phenyl-2-thioxo-?
The CAS number of 3-Pyridinecarbonitrile, 1,2-dihydro-4-(3-nitrophenyl)-6-phenyl-2-thioxo- is 89451-45-6.
What is the molecular formula of 3-Pyridinecarbonitrile, 1,2-dihydro-4-(3-nitrophenyl)-6-phenyl-2-thioxo-?
The molecular formula of 3-Pyridinecarbonitrile, 1,2-dihydro-4-(3-nitrophenyl)-6-phenyl-2-thioxo- is C18H11N3O2S.
What is the molecular weight of 3-Pyridinecarbonitrile, 1,2-dihydro-4-(3-nitrophenyl)-6-phenyl-2-thioxo-?
The molecular weight of 3-Pyridinecarbonitrile, 1,2-dihydro-4-(3-nitrophenyl)-6-phenyl-2-thioxo- is 333.06 g/mol.
Where can I buy 3-Pyridinecarbonitrile, 1,2-dihydro-4-(3-nitrophenyl)-6-phenyl-2-thioxo-?
You can request a quote for 3-Pyridinecarbonitrile, 1,2-dihydro-4-(3-nitrophenyl)-6-phenyl-2-thioxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Pyridinecarbonitrile, 1,2-dihydro-4-(3-nitrophenyl)-6-phenyl-2-thioxo-?
Yes, KEHONG BIO provides custom synthesis services for 3-Pyridinecarbonitrile, 1,2-dihydro-4-(3-nitrophenyl)-6-phenyl-2-thioxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.