5-acetyl-4-{3-nitrophenyl}-6-methyl-2-(propylsulfanyl)-1,4-dihydropyridine-3-carbonitrile
TL;DR: 5-acetyl-4-{3-nitrophenyl}-6-methyl-2-(propylsulfanyl)-1,4-dihydropyridine-3-carbonitrile (CAS 445221-01-2) is a chemical compound with molecular formula C18H19N3O3S and molecular weight 357.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetyl-6-methyl-4-(3-nitrophenyl)-2-propylsulfanyl-1,4-dihydropyridine-3-carbonitrile
Also Known As: 5-acetyl-4-{3-nitrophenyl}-6-methyl-2-(propylsulfanyl)-1,4-dihydropyridine-3-carbonitrile, 5-acetyl-6-methyl-4-(3-nitrophenyl)-2-propylsulfanyl-1,4-dihydropyridine-3-carbonitrile
| Molecular Formula | C18H19N3O3S |
|---|---|
| Molecular Weight | 357.11 g/mol |
| LogP | 4.02298 |
| Topological Polar Surface Area | 96.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 357.11472 |
| Heavy Atoms | 25 |
| Complexity | 821.10034 |
Chemical Identifiers
| CAS Number | 445221-01-2 |
|---|---|
| SMILES | CCCSC1=C(C(C(=C(N1)C)C(=O)C)C2=CC(=CC=C2)[N+](=O)[O-])C#N |
Product Overview
5-acetyl-4-{3-nitrophenyl}-6-methyl-2-(propylsulfanyl)-1,4-dihydropyridine-3-carbonitrile (CAS 445221-01-2), with molecular formula C18H19N3O3S and molecular weight 357.11 g/mol. IUPAC: 5-acetyl-6-methyl-4-(3-nitrophenyl)-2-propylsulfanyl-1,4-dihydropyridine-3-carbonitrile.
Chemical Property Profile of 5-acetyl-4-{3-nitrophenyl}-6-methyl-2-(propylsulfanyl)-1,4-dihydropyridine-3-carbonitrile
Property Insights of 5-acetyl-4-{3-nitrophenyl}-6-methyl-2-(propylsulfanyl)-1,4-dihydropyridine-3-carbonitrile
The XLogP value of 4.02298 indicates that 5-acetyl-4-{3-nitrophenyl}-6-methyl-2-(propylsulfanyl)-1,4-dihydropyridine-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-acetyl-4-{3-nitrophenyl}-6-methyl-2-(propylsulfanyl)-1,4-dihydropyridine-3-carbonitrile. Following Lipinski's Rule of Five, 5-acetyl-4-{3-nitrophenyl}-6-methyl-2-(propylsulfanyl)-1,4-dihydropyridine-3-carbonitrile has 1 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 5-acetyl-4-{3-nitrophenyl}-6-methyl-2-(propylsulfanyl)-1,4-dihydropyridine-3-carbonitrile?
The CAS number of 5-acetyl-4-{3-nitrophenyl}-6-methyl-2-(propylsulfanyl)-1,4-dihydropyridine-3-carbonitrile is 445221-01-2.
What is the molecular formula of 5-acetyl-4-{3-nitrophenyl}-6-methyl-2-(propylsulfanyl)-1,4-dihydropyridine-3-carbonitrile?
The molecular formula of 5-acetyl-4-{3-nitrophenyl}-6-methyl-2-(propylsulfanyl)-1,4-dihydropyridine-3-carbonitrile is C18H19N3O3S.
What is the molecular weight of 5-acetyl-4-{3-nitrophenyl}-6-methyl-2-(propylsulfanyl)-1,4-dihydropyridine-3-carbonitrile?
The molecular weight of 5-acetyl-4-{3-nitrophenyl}-6-methyl-2-(propylsulfanyl)-1,4-dihydropyridine-3-carbonitrile is 357.11 g/mol.
Where can I buy 5-acetyl-4-{3-nitrophenyl}-6-methyl-2-(propylsulfanyl)-1,4-dihydropyridine-3-carbonitrile?
You can request a quote for 5-acetyl-4-{3-nitrophenyl}-6-methyl-2-(propylsulfanyl)-1,4-dihydropyridine-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-acetyl-4-{3-nitrophenyl}-6-methyl-2-(propylsulfanyl)-1,4-dihydropyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-acetyl-4-{3-nitrophenyl}-6-methyl-2-(propylsulfanyl)-1,4-dihydropyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.