N-(tert-butyl)-2-((3-cyano-4-(3,5-dibromo-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)acetamide
TL;DR: N-(tert-butyl)-2-((3-cyano-4-(3,5-dibromo-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)acetamide (CAS 780792-78-1) is a chemical compound with molecular formula C18H19Br2N3O3S and molecular weight 514.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-tert-butyl-2-[[5-cyano-4-(3,5-dibromo-4-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide
Also Known As: N-(tert-butyl)-2-((3-cyano-4-(3,5-dibromo-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)acetamide, N-tert-butyl-2-[[5-cyano-4-(3,5-dibromo-4-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide, N-tert-butyl-2-{[3-cyano-4-(3,5-dibromo-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide
| Molecular Formula | C18H19Br2N3O3S |
|---|---|
| Molecular Weight | 514.95 g/mol |
| LogP | 3.90378 |
| Topological Polar Surface Area | 102.22 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 514.9514 |
| Heavy Atoms | 27 |
| Complexity | 833.3834 |
Chemical Identifiers
| CAS Number | 780792-78-1 |
|---|---|
| SMILES | CC(C)(C)NC(=O)CSC1=C(C(CC(=O)N1)C2=CC(=C(C(=C2)Br)O)Br)C#N |
Product Overview
N-(tert-butyl)-2-((3-cyano-4-(3,5-dibromo-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)acetamide (CAS 780792-78-1), with molecular formula C18H19Br2N3O3S and molecular weight 514.95 g/mol. IUPAC: N-tert-butyl-2-[[5-cyano-4-(3,5-dibromo-4-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide.
Chemical Property Profile of N-(tert-butyl)-2-((3-cyano-4-(3,5-dibromo-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)acetamide
Property Insights of N-(tert-butyl)-2-((3-cyano-4-(3,5-dibromo-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)acetamide
The XLogP value of 3.90378 indicates that N-(tert-butyl)-2-((3-cyano-4-(3,5-dibromo-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.22 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(tert-butyl)-2-((3-cyano-4-(3,5-dibromo-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)acetamide. Following Lipinski's Rule of Five, N-(tert-butyl)-2-((3-cyano-4-(3,5-dibromo-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)acetamide has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(tert-butyl)-2-((3-cyano-4-(3,5-dibromo-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)acetamide?
The CAS number of N-(tert-butyl)-2-((3-cyano-4-(3,5-dibromo-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)acetamide is 780792-78-1.
What is the molecular formula of N-(tert-butyl)-2-((3-cyano-4-(3,5-dibromo-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)acetamide?
The molecular formula of N-(tert-butyl)-2-((3-cyano-4-(3,5-dibromo-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)acetamide is C18H19Br2N3O3S.
What is the molecular weight of N-(tert-butyl)-2-((3-cyano-4-(3,5-dibromo-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)acetamide?
The molecular weight of N-(tert-butyl)-2-((3-cyano-4-(3,5-dibromo-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)acetamide is 514.95 g/mol.
Where can I buy N-(tert-butyl)-2-((3-cyano-4-(3,5-dibromo-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)acetamide?
You can request a quote for N-(tert-butyl)-2-((3-cyano-4-(3,5-dibromo-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(tert-butyl)-2-((3-cyano-4-(3,5-dibromo-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(tert-butyl)-2-((3-cyano-4-(3,5-dibromo-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.