(4R)-5-acetyl-2-ethynylsulfanyl-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile
TL;DR: (4R)-5-acetyl-2-ethynylsulfanyl-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile (CAS 303179-89-7) is a chemical compound with molecular formula C17H13N3O3S and molecular weight 339.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R)-5-acetyl-2-ethynylsulfanyl-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile
Also Known As: (4R)-5-acetyl-2-ethynylsulfanyl-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile, (R)-5-acetyl-2-(ethynylthio)-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile
| Molecular Formula | C17H13N3O3S |
|---|---|
| Molecular Weight | 339.07 g/mol |
| LogP | 3.20368 |
| Topological Polar Surface Area | 96.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 339.06775 |
| Heavy Atoms | 24 |
| Complexity | 871.80237 |
Chemical Identifiers
| CAS Number | 303179-89-7 |
|---|---|
| SMILES | CC1=C([C@H](C(=C(N1)SC#C)C#N)C2=CC=CC=C2[N+](=O)[O-])C(=O)C |
Product Overview
(4R)-5-acetyl-2-ethynylsulfanyl-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile (CAS 303179-89-7), with molecular formula C17H13N3O3S and molecular weight 339.07 g/mol. IUPAC: (4R)-5-acetyl-2-ethynylsulfanyl-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile.
Chemical Property Profile of (4R)-5-acetyl-2-ethynylsulfanyl-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile
Property Insights of (4R)-5-acetyl-2-ethynylsulfanyl-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile
The XLogP value of 3.20368 indicates that (4R)-5-acetyl-2-ethynylsulfanyl-6-methyl-4-(2-nitrophenyl)-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 (4R)-5-acetyl-2-ethynylsulfanyl-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile. Following Lipinski's Rule of Five, (4R)-5-acetyl-2-ethynylsulfanyl-6-methyl-4-(2-nitrophenyl)-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 (4R)-5-acetyl-2-ethynylsulfanyl-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile?
The CAS number of (4R)-5-acetyl-2-ethynylsulfanyl-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile is 303179-89-7.
What is the molecular formula of (4R)-5-acetyl-2-ethynylsulfanyl-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile?
The molecular formula of (4R)-5-acetyl-2-ethynylsulfanyl-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile is C17H13N3O3S.
What is the molecular weight of (4R)-5-acetyl-2-ethynylsulfanyl-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile?
The molecular weight of (4R)-5-acetyl-2-ethynylsulfanyl-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile is 339.07 g/mol.
Where can I buy (4R)-5-acetyl-2-ethynylsulfanyl-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile?
You can request a quote for (4R)-5-acetyl-2-ethynylsulfanyl-6-methyl-4-(2-nitrophenyl)-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 (4R)-5-acetyl-2-ethynylsulfanyl-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for (4R)-5-acetyl-2-ethynylsulfanyl-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.