AO-022/42435122
TL;DR: AO-022/42435122 (CAS 799823-83-9) is a chemical compound with molecular formula C27H26ClN3O2S and molecular weight 491.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-chlorophenyl)-3-cyano-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-2-yl]sulfanyl]-N-(2-methylphenyl)acetamide
Also Known As: AO-022/42435122, 2-{[4-(4-chlorophenyl)-3-cyano-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-2-quinolinyl]sulfanyl}-N-(2-methylphenyl)acetamide, 2-[[4-(4-chlorophenyl)-3-cyano-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-2-yl]sulfanyl]-N-(2-methylphenyl)acetamide, 2-((4-(4-chlorophenyl)-3-cyano-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(o-tolyl)acetamide, 2-{[4-(4-chlorophenyl)-3-cyano-5-hydroxy-7,7-dimethyl-4,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}-N-(2-methylphenyl)acetamide
| Molecular Formula | C27H26ClN3O2S |
|---|---|
| Molecular Weight | 491.14 g/mol |
| LogP | 6.0855 |
| Topological Polar Surface Area | 81.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 491.14343 |
| Heavy Atoms | 34 |
| Complexity | 1255.3815 |
Chemical Identifiers
| CAS Number | 799823-83-9 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)CSC2=C(C(C3=C(N2)CC(CC3=O)(C)C)C4=CC=C(C=C4)Cl)C#N |
Product Overview
AO-022/42435122 (CAS 799823-83-9), with molecular formula C27H26ClN3O2S and molecular weight 491.14 g/mol. IUPAC: 2-[[4-(4-chlorophenyl)-3-cyano-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-2-yl]sulfanyl]-N-(2-methylphenyl)acetamide.
Chemical Property Profile of AO-022/42435122
Property Insights of AO-022/42435122
The XLogP value of 6.0855 indicates that AO-022/42435122 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-022/42435122. Following Lipinski's Rule of Five, AO-022/42435122 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-022/42435122?
The CAS number of AO-022/42435122 is 799823-83-9.
What is the molecular formula of AO-022/42435122?
The molecular formula of AO-022/42435122 is C27H26ClN3O2S.
What is the molecular weight of AO-022/42435122?
The molecular weight of AO-022/42435122 is 491.14 g/mol.
Where can I buy AO-022/42435122?
You can request a quote for AO-022/42435122 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/42435122?
Yes, KEHONG BIO provides custom synthesis services for AO-022/42435122 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.