Acetamide, 2-((5-acetyl-3-cyano-1,4,5,6-tetrahydro-6-hydroxy-6-methyl-4-(3-nitrophenyl)-2-pyridinyl)thio)-
TL;DR: Acetamide, 2-((5-acetyl-3-cyano-1,4,5,6-tetrahydro-6-hydroxy-6-methyl-4-(3-nitrophenyl)-2-pyridinyl)thio)- (CAS 117491-08-4) is a chemical compound with molecular formula C17H18N4O5S and molecular weight 390.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-acetyl-5-cyano-2-hydroxy-2-methyl-4-(3-nitrophenyl)-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide
Also Known As: Acetamide, 2-((5-acetyl-3-cyano-1,4,5,6-tetrahydro-6-hydroxy-6-methyl-4-(3-nitrophenyl)-2-pyridinyl)thio)-, {[5-Acetyl-3-cyano-6-hydroxy-6-methyl-4-(3-nitrophenyl)-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}ethanimidic acid, 2-[[3-acetyl-5-cyano-2-hydroxy-2-methyl-4-(3-nitrophenyl)-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide, 2-{[5-Acetyl-3-cyano-6-hydroxy-6-methyl-4-(3-nitrophenyl)-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}ethanimidic acid, BRN 5646129
| Molecular Formula | C17H18N4O5S |
|---|---|
| Molecular Weight | 390.10 g/mol |
| LogP | 1.14898 |
| Topological Polar Surface Area | 159.35 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 390.0998 |
| Heavy Atoms | 27 |
| Complexity | 874.3199 |
Chemical Identifiers
| CAS Number | 117491-08-4 |
|---|---|
| SMILES | CC(=O)C1C(C(=C(NC1(C)O)SCC(=O)N)C#N)C2=CC(=CC=C2)[N+](=O)[O-] |
Product Overview
Acetamide, 2-((5-acetyl-3-cyano-1,4,5,6-tetrahydro-6-hydroxy-6-methyl-4-(3-nitrophenyl)-2-pyridinyl)thio)- (CAS 117491-08-4), with molecular formula C17H18N4O5S and molecular weight 390.10 g/mol. IUPAC: 2-[[3-acetyl-5-cyano-2-hydroxy-2-methyl-4-(3-nitrophenyl)-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide.
Chemical Property Profile of Acetamide, 2-((5-acetyl-3-cyano-1,4,5,6-tetrahydro-6-hydroxy-6-methyl-4-(3-nitrophenyl)-2-pyridinyl)thio)-
Property Insights of Acetamide, 2-((5-acetyl-3-cyano-1,4,5,6-tetrahydro-6-hydroxy-6-methyl-4-(3-nitrophenyl)-2-pyridinyl)thio)-
The XLogP value of 1.14898 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetamide, 2-((5-acetyl-3-cyano-1,4,5,6-tetrahydro-6-hydroxy-6-methyl-4-(3-nitrophenyl)-2-pyridinyl)thio)-. The TPSA of 159.35 Ų indicates high polarity, suggesting Acetamide, 2-((5-acetyl-3-cyano-1,4,5,6-tetrahydro-6-hydroxy-6-methyl-4-(3-nitrophenyl)-2-pyridinyl)thio)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Acetamide, 2-((5-acetyl-3-cyano-1,4,5,6-tetrahydro-6-hydroxy-6-methyl-4-(3-nitrophenyl)-2-pyridinyl)thio)- has 3 hydrogen bond donor(s) and 8 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 Acetamide, 2-((5-acetyl-3-cyano-1,4,5,6-tetrahydro-6-hydroxy-6-methyl-4-(3-nitrophenyl)-2-pyridinyl)thio)-?
The CAS number of Acetamide, 2-((5-acetyl-3-cyano-1,4,5,6-tetrahydro-6-hydroxy-6-methyl-4-(3-nitrophenyl)-2-pyridinyl)thio)- is 117491-08-4.
What is the molecular formula of Acetamide, 2-((5-acetyl-3-cyano-1,4,5,6-tetrahydro-6-hydroxy-6-methyl-4-(3-nitrophenyl)-2-pyridinyl)thio)-?
The molecular formula of Acetamide, 2-((5-acetyl-3-cyano-1,4,5,6-tetrahydro-6-hydroxy-6-methyl-4-(3-nitrophenyl)-2-pyridinyl)thio)- is C17H18N4O5S.
What is the molecular weight of Acetamide, 2-((5-acetyl-3-cyano-1,4,5,6-tetrahydro-6-hydroxy-6-methyl-4-(3-nitrophenyl)-2-pyridinyl)thio)-?
The molecular weight of Acetamide, 2-((5-acetyl-3-cyano-1,4,5,6-tetrahydro-6-hydroxy-6-methyl-4-(3-nitrophenyl)-2-pyridinyl)thio)- is 390.10 g/mol.
Where can I buy Acetamide, 2-((5-acetyl-3-cyano-1,4,5,6-tetrahydro-6-hydroxy-6-methyl-4-(3-nitrophenyl)-2-pyridinyl)thio)-?
You can request a quote for Acetamide, 2-((5-acetyl-3-cyano-1,4,5,6-tetrahydro-6-hydroxy-6-methyl-4-(3-nitrophenyl)-2-pyridinyl)thio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetamide, 2-((5-acetyl-3-cyano-1,4,5,6-tetrahydro-6-hydroxy-6-methyl-4-(3-nitrophenyl)-2-pyridinyl)thio)-?
Yes, KEHONG BIO provides custom synthesis services for Acetamide, 2-((5-acetyl-3-cyano-1,4,5,6-tetrahydro-6-hydroxy-6-methyl-4-(3-nitrophenyl)-2-pyridinyl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.