AE-848/11829217
TL;DR: AE-848/11829217 (CAS 370855-30-4) is a chemical compound with molecular formula C21H18BrN3O2S and molecular weight 455.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromophenyl)-2-[[5-cyano-4-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide
Also Known As: AE-848/11829217, N-(4-bromophenyl)-2-{[3-cyano-4-(2-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide, N-(4-bromophenyl)-2-((3-cyano-6-oxo-4-(o-tolyl)-1,4,5,6-tetrahydropyridin-2-yl)thio)acetamide, N-(4-bromophenyl)-2-[[5-cyano-4-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide, N-(4-bromophenyl)-2-{[3-cyano-4-(2-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]thio}acetamide
| Molecular Formula | C21H18BrN3O2S |
|---|---|
| Molecular Weight | 455.03 g/mol |
| LogP | 4.4681 |
| Topological Polar Surface Area | 81.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 455.0303 |
| Heavy Atoms | 28 |
| Complexity | 979.8904 |
Chemical Identifiers
| CAS Number | 370855-30-4 |
|---|---|
| SMILES | CC1=CC=CC=C1C2CC(=O)NC(=C2C#N)SCC(=O)NC3=CC=C(C=C3)Br |
Product Overview
AE-848/11829217 (CAS 370855-30-4), with molecular formula C21H18BrN3O2S and molecular weight 455.03 g/mol. IUPAC: N-(4-bromophenyl)-2-[[5-cyano-4-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide.
Chemical Property Profile of AE-848/11829217
Property Insights of AE-848/11829217
The XLogP value of 4.4681 indicates that AE-848/11829217 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 AE-848/11829217. Following Lipinski's Rule of Five, AE-848/11829217 has 2 hydrogen bond donor(s) and 4 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 AE-848/11829217?
The CAS number of AE-848/11829217 is 370855-30-4.
What is the molecular formula of AE-848/11829217?
The molecular formula of AE-848/11829217 is C21H18BrN3O2S.
What is the molecular weight of AE-848/11829217?
The molecular weight of AE-848/11829217 is 455.03 g/mol.
Where can I buy AE-848/11829217?
You can request a quote for AE-848/11829217 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/11829217?
Yes, KEHONG BIO provides custom synthesis services for AE-848/11829217 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.