AO-022/41827628
TL;DR: AO-022/41827628 (CAS 693234-98-9) is a chemical compound with molecular formula C25H21ClFN3O2S and molecular weight 481.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-4-methylphenyl)-2-[[3-cyano-4-(2-fluorophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetamide
Also Known As: AO-022/41827628, N-(3-chloro-4-methylphenyl)-2-[[3-cyano-4-(2-fluorophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetamide, N-(3-chloro-4-methylphenyl)-2-{[3-cyano-4-(2-fluorophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-2-quinolinyl]sulfanyl}acetamide, N-(3-chloro-4-methylphenyl)-2-((3-cyano-4-(2-fluorophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)acetamide, N-(3-chloro-4-methylphenyl)-2-{[3-cyano-4-(2-fluorophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetamide
| Molecular Formula | C25H21ClFN3O2S |
|---|---|
| Molecular Weight | 481.10 g/mol |
| LogP | 5.5885 |
| Topological Polar Surface Area | 81.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 481.1027 |
| Heavy Atoms | 33 |
| Complexity | 1248.4534 |
Chemical Identifiers
| CAS Number | 693234-98-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)CSC2=C(C(C3=C(N2)CCCC3=O)C4=CC=CC=C4F)C#N)Cl |
Product Overview
AO-022/41827628 (CAS 693234-98-9), with molecular formula C25H21ClFN3O2S and molecular weight 481.10 g/mol. IUPAC: N-(3-chloro-4-methylphenyl)-2-[[3-cyano-4-(2-fluorophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetamide.
Chemical Property Profile of AO-022/41827628
Property Insights of AO-022/41827628
The XLogP value of 5.5885 indicates that AO-022/41827628 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-022/41827628. Following Lipinski's Rule of Five, AO-022/41827628 has 2 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 AO-022/41827628?
The CAS number of AO-022/41827628 is 693234-98-9.
What is the molecular formula of AO-022/41827628?
The molecular formula of AO-022/41827628 is C25H21ClFN3O2S.
What is the molecular weight of AO-022/41827628?
The molecular weight of AO-022/41827628 is 481.10 g/mol.
Where can I buy AO-022/41827628?
You can request a quote for AO-022/41827628 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/41827628?
Yes, KEHONG BIO provides custom synthesis services for AO-022/41827628 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.