AE-848/41827860
TL;DR: AE-848/41827860 (CAS 799776-46-8) is a chemical compound with molecular formula C27H27N3O4S and molecular weight 489.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-cyano-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-(2-ethylphenyl)acetamide
Also Known As: AE-848/41827860, 2-{[3-cyano-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-2-quinolinyl]sulfanyl}-N-(2-ethylphenyl)acetamide, 2-[[3-cyano-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-(2-ethylphenyl)acetamide, 2-((3-cyano-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(2-ethylphenyl)acetamide, 2-{[3-cyano-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(2-ethylphenyl)acetamide
| Molecular Formula | C27H27N3O4S |
|---|---|
| Molecular Weight | 489.17 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 489.17224 |
| Heavy Atoms | 35 |
| Complexity | 936.0 |
Chemical Identifiers
| CAS Number | 799776-46-8 |
|---|---|
| SMILES | CCC1=CC=CC=C1NC(=O)CSC2=C(C(C3=C(N2)CCCC3=O)C4=CC(=C(C=C4)O)OC)C#N |
| InChIKey | JFGMPCRTQNLLDX-UHFFFAOYSA-N |
Product Overview
AE-848/41827860 (CAS 799776-46-8), with molecular formula C27H27N3O4S and molecular weight 489.17 g/mol. IUPAC: 2-[[3-cyano-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-(2-ethylphenyl)acetamide.
Chemical Property Profile of AE-848/41827860
Property Insights of AE-848/41827860
The XLogP value of 4.0 indicates that AE-848/41827860 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-848/41827860. Following Lipinski's Rule of Five, AE-848/41827860 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 AE-848/41827860?
The CAS number of AE-848/41827860 is 799776-46-8.
What is the molecular formula of AE-848/41827860?
The molecular formula of AE-848/41827860 is C27H27N3O4S.
What is the molecular weight of AE-848/41827860?
The molecular weight of AE-848/41827860 is 489.17 g/mol.
Where can I buy AE-848/41827860?
You can request a quote for AE-848/41827860 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/41827860?
Yes, KEHONG BIO provides custom synthesis services for AE-848/41827860 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.