![2-{[4-(3-bromophenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(3-chloro-2-methylphenyl)acetamide structure](/static/products/488/488706-23-6.png)
2-{[4-(3-bromophenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(3-chloro-2-methylphenyl)acetamide
TL;DR: 2-{[4-(3-bromophenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(3-chloro-2-methylphenyl)acetamide (CAS 488706-23-6) is a chemical compound with molecular formula C21H17BrClN3O2S and molecular weight 488.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(3-bromophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(3-chloro-2-methylphenyl)acetamide
Also Known As: 2-{[4-(3-bromophenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(3-chloro-2-methylphenyl)acetamide, 2-((4-(3-bromophenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(3-chloro-2-methylphenyl)acetamide, 2-[[4-(3-bromophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(3-chloro-2-methylphenyl)acetamide
| Molecular Formula | C21H17BrClN3O2S |
|---|---|
| Molecular Weight | 488.99 g/mol |
| LogP | 5.1215 |
| Topological Polar Surface Area | 81.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 488.99133 |
| Heavy Atoms | 29 |
| Complexity | 1048.462 |
Chemical Identifiers
| CAS Number | 488706-23-6 |
|---|---|
| SMILES | CC1=C(C=CC=C1Cl)NC(=O)CSC2=C(C(CC(=O)N2)C3=CC(=CC=C3)Br)C#N |
Product Overview
2-{[4-(3-bromophenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(3-chloro-2-methylphenyl)acetamide (CAS 488706-23-6), with molecular formula C21H17BrClN3O2S and molecular weight 488.99 g/mol. IUPAC: 2-[[4-(3-bromophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(3-chloro-2-methylphenyl)acetamide.
Chemical Property Profile of 2-{[4-(3-bromophenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(3-chloro-2-methylphenyl)acetamide
Property Insights of 2-{[4-(3-bromophenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(3-chloro-2-methylphenyl)acetamide
The XLogP value of 5.1215 indicates that 2-{[4-(3-bromophenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(3-chloro-2-methylphenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[4-(3-bromophenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(3-chloro-2-methylphenyl)acetamide. Following Lipinski's Rule of Five, 2-{[4-(3-bromophenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(3-chloro-2-methylphenyl)acetamide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-{[4-(3-bromophenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(3-chloro-2-methylphenyl)acetamide?
The CAS number of 2-{[4-(3-bromophenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(3-chloro-2-methylphenyl)acetamide is 488706-23-6.
What is the molecular formula of 2-{[4-(3-bromophenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(3-chloro-2-methylphenyl)acetamide?
The molecular formula of 2-{[4-(3-bromophenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(3-chloro-2-methylphenyl)acetamide is C21H17BrClN3O2S.
What is the molecular weight of 2-{[4-(3-bromophenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(3-chloro-2-methylphenyl)acetamide?
The molecular weight of 2-{[4-(3-bromophenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(3-chloro-2-methylphenyl)acetamide is 488.99 g/mol.
Where can I buy 2-{[4-(3-bromophenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(3-chloro-2-methylphenyl)acetamide?
You can request a quote for 2-{[4-(3-bromophenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(3-chloro-2-methylphenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[4-(3-bromophenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(3-chloro-2-methylphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[4-(3-bromophenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(3-chloro-2-methylphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.