3-(5-nitropyridin-2-yl)-6-propyl-2-sulfanylidene-1H-pyrimidin-4-one
TL;DR: 3-(5-nitropyridin-2-yl)-6-propyl-2-sulfanylidene-1H-pyrimidin-4-one (CAS 79932-97-1) is a chemical compound with molecular formula C12H12N4O3S and molecular weight 292.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-nitro-2-pyridinyl)-6-propyl-2-sulfanylidene-1H-pyrimidin-4-one
Also Known As: 3-(5-nitropyridin-2-yl)-6-propyl-2-sulfanylidene-1H-pyrimidin-4-one, 3-(5-nitropyridin-2-yl)-6-propyl-2-sulfanylidene-1H-pyrimidi, 3-(5-Nitropyridin-2-yl)-6-propyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
| Molecular Formula | C12H12N4O3S |
|---|---|
| Molecular Weight | 292.06 g/mol |
| LogP | 2.15079 |
| Topological Polar Surface Area | 93.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 292.06302 |
| Heavy Atoms | 20 |
| Complexity | 717.28314 |
Chemical Identifiers
| CAS Number | 79932-97-1 |
|---|---|
| SMILES | CCCC1=CC(=O)N(C(=S)N1)C2=NC=C(C=C2)[N+](=O)[O-] |
Product Overview
3-(5-nitropyridin-2-yl)-6-propyl-2-sulfanylidene-1H-pyrimidin-4-one (CAS 79932-97-1), with molecular formula C12H12N4O3S and molecular weight 292.06 g/mol. IUPAC: 3-(5-nitro-2-pyridinyl)-6-propyl-2-sulfanylidene-1H-pyrimidin-4-one.
Chemical Property Profile of 3-(5-nitropyridin-2-yl)-6-propyl-2-sulfanylidene-1H-pyrimidin-4-one
Property Insights of 3-(5-nitropyridin-2-yl)-6-propyl-2-sulfanylidene-1H-pyrimidin-4-one
The XLogP value of 2.15079 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(5-nitropyridin-2-yl)-6-propyl-2-sulfanylidene-1H-pyrimidin-4-one. The TPSA of 93.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(5-nitropyridin-2-yl)-6-propyl-2-sulfanylidene-1H-pyrimidin-4-one. Following Lipinski's Rule of Five, 3-(5-nitropyridin-2-yl)-6-propyl-2-sulfanylidene-1H-pyrimidin-4-one has 1 hydrogen bond donor(s) and 5 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-(5-nitropyridin-2-yl)-6-propyl-2-sulfanylidene-1H-pyrimidin-4-one?
The CAS number of 3-(5-nitropyridin-2-yl)-6-propyl-2-sulfanylidene-1H-pyrimidin-4-one is 79932-97-1.
What is the molecular formula of 3-(5-nitropyridin-2-yl)-6-propyl-2-sulfanylidene-1H-pyrimidin-4-one?
The molecular formula of 3-(5-nitropyridin-2-yl)-6-propyl-2-sulfanylidene-1H-pyrimidin-4-one is C12H12N4O3S.
What is the molecular weight of 3-(5-nitropyridin-2-yl)-6-propyl-2-sulfanylidene-1H-pyrimidin-4-one?
The molecular weight of 3-(5-nitropyridin-2-yl)-6-propyl-2-sulfanylidene-1H-pyrimidin-4-one is 292.06 g/mol.
Where can I buy 3-(5-nitropyridin-2-yl)-6-propyl-2-sulfanylidene-1H-pyrimidin-4-one?
You can request a quote for 3-(5-nitropyridin-2-yl)-6-propyl-2-sulfanylidene-1H-pyrimidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(5-nitropyridin-2-yl)-6-propyl-2-sulfanylidene-1H-pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(5-nitropyridin-2-yl)-6-propyl-2-sulfanylidene-1H-pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.