AO-022/41827868
TL;DR: AO-022/41827868 (CAS 799771-83-8) is a chemical compound with molecular formula C25H22ClN3O4S and molecular weight 495.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chlorophenyl)-2-[[3-cyano-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetamide
Also Known As: AO-022/41827868, N-(3-chlorophenyl)-2-[[3-cyano-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetamide, N-(3-chlorophenyl)-2-{[3-cyano-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-2-quinolinyl]sulfanyl}acetamide, N-(3-chlorophenyl)-2-((3-cyano-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)acetamide, N-(3-chlorophenyl)-2-{[3-cyano-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetamide
| Molecular Formula | C25H22ClN3O4S |
|---|---|
| Molecular Weight | 495.10 g/mol |
| LogP | 4.85518 |
| Topological Polar Surface Area | 111.45 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 495.10196 |
| Heavy Atoms | 34 |
| Complexity | 1265.0474 |
Chemical Identifiers
| CAS Number | 799771-83-8 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C2C(=C(NC3=C2C(=O)CCC3)SCC(=O)NC4=CC(=CC=C4)Cl)C#N)O |
Product Overview
AO-022/41827868 (CAS 799771-83-8), with molecular formula C25H22ClN3O4S and molecular weight 495.10 g/mol. IUPAC: N-(3-chlorophenyl)-2-[[3-cyano-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetamide.
Chemical Property Profile of AO-022/41827868
Property Insights of AO-022/41827868
The XLogP value of 4.85518 indicates that AO-022/41827868 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.45 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/41827868. Following Lipinski's Rule of Five, AO-022/41827868 has 3 hydrogen bond donor(s) and 7 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-022/41827868?
The CAS number of AO-022/41827868 is 799771-83-8.
What is the molecular formula of AO-022/41827868?
The molecular formula of AO-022/41827868 is C25H22ClN3O4S.
What is the molecular weight of AO-022/41827868?
The molecular weight of AO-022/41827868 is 495.10 g/mol.
Where can I buy AO-022/41827868?
You can request a quote for AO-022/41827868 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/41827868?
Yes, KEHONG BIO provides custom synthesis services for AO-022/41827868 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.