AE-848/41151130
TL;DR: AE-848/41151130 (CAS 489406-08-8) is a chemical compound with molecular formula C24H21ClN2O3S and molecular weight 452.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chlorophenyl)methylsulfanyl]-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
Also Known As: AE-848/41151130, 2-((2-chlorobenzyl)thio)-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-[(2-chlorobenzyl)sulfanyl]-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-[(2-chlorobenzyl)sulfanyl]-5-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile, 2-[(2-chlorobenzyl)thio]-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
| Molecular Formula | C24H21ClN2O3S |
|---|---|
| Molecular Weight | 452.10 g/mol |
| LogP | 5.41668 |
| Topological Polar Surface Area | 82.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 452.09613 |
| Heavy Atoms | 31 |
| Complexity | 1149.7537 |
Chemical Identifiers
| CAS Number | 489406-08-8 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C2C(=C(NC3=C2C(=O)CCC3)SCC4=CC=CC=C4Cl)C#N)O |
Product Overview
AE-848/41151130 (CAS 489406-08-8), with molecular formula C24H21ClN2O3S and molecular weight 452.10 g/mol. IUPAC: 2-[(2-chlorophenyl)methylsulfanyl]-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile.
Chemical Property Profile of AE-848/41151130
Property Insights of AE-848/41151130
The XLogP value of 5.41668 indicates that AE-848/41151130 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.35 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-848/41151130. Following Lipinski's Rule of Five, AE-848/41151130 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AE-848/41151130?
The CAS number of AE-848/41151130 is 489406-08-8.
What is the molecular formula of AE-848/41151130?
The molecular formula of AE-848/41151130 is C24H21ClN2O3S.
What is the molecular weight of AE-848/41151130?
The molecular weight of AE-848/41151130 is 452.10 g/mol.
Where can I buy AE-848/41151130?
You can request a quote for AE-848/41151130 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/41151130?
Yes, KEHONG BIO provides custom synthesis services for AE-848/41151130 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.