AO-022/41151181
TL;DR: AO-022/41151181 (CAS 488122-95-8) 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.
2-[[4-(3-bromophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(2-methylphenyl)acetamide
Also Known As: AO-022/41151181, 2-{[4-(3-bromophenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(2-methylphenyl)acetamide, 2-((4-(3-bromophenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(o-tolyl)acetamide, 2-[[4-(3-bromophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(2-methylphenyl)acetamide, 2-{[4-(3-bromophenyl)-3-cyano-6-hydroxy-4,5-dihydropyridin-2-yl]sulfanyl}-N-(2-methylphenyl)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 | 997.1404 |
Chemical Identifiers
| CAS Number | 488122-95-8 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)CSC2=C(C(CC(=O)N2)C3=CC(=CC=C3)Br)C#N |
Product Overview
AO-022/41151181 (CAS 488122-95-8), with molecular formula C21H18BrN3O2S and molecular weight 455.03 g/mol. IUPAC: 2-[[4-(3-bromophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(2-methylphenyl)acetamide.
Chemical Property Profile of AO-022/41151181
Property Insights of AO-022/41151181
The XLogP value of 4.4681 indicates that AO-022/41151181 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 AO-022/41151181. Following Lipinski's Rule of Five, AO-022/41151181 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 AO-022/41151181?
The CAS number of AO-022/41151181 is 488122-95-8.
What is the molecular formula of AO-022/41151181?
The molecular formula of AO-022/41151181 is C21H18BrN3O2S.
What is the molecular weight of AO-022/41151181?
The molecular weight of AO-022/41151181 is 455.03 g/mol.
Where can I buy AO-022/41151181?
You can request a quote for AO-022/41151181 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/41151181?
Yes, KEHONG BIO provides custom synthesis services for AO-022/41151181 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.