AE-848/33766039
TL;DR: AE-848/33766039 (CAS 360567-33-5) is a chemical compound with molecular formula C27H19FN2O3S and molecular weight 470.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-fluorophenyl)-2-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: AE-848/33766039, A0727/0033916, 4-(4-fluorophenyl)-2-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile, 4-(4-fluorophenyl)-2-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile, 4-(4-fluorophenyl)-2-{[2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl]sulfanyl}-5,6,7,8-tetrahydro-3-quinolinecarbonitrile
| Molecular Formula | C27H19FN2O3S |
|---|---|
| Molecular Weight | 470.11 g/mol |
| LogP | 5.71958 |
| Topological Polar Surface Area | 83.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 470.11005 |
| Heavy Atoms | 34 |
| Complexity | 1520.4193 |
Chemical Identifiers
| CAS Number | 360567-33-5 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(C(=N2)SCC(=O)C3=CC4=CC=CC=C4OC3=O)C#N)C5=CC=C(C=C5)F |
Product Overview
AE-848/33766039 (CAS 360567-33-5), with molecular formula C27H19FN2O3S and molecular weight 470.11 g/mol. IUPAC: 4-(4-fluorophenyl)-2-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of AE-848/33766039
Property Insights of AE-848/33766039
The XLogP value of 5.71958 indicates that AE-848/33766039 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.96 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-848/33766039. Following Lipinski's Rule of Five, AE-848/33766039 has 0 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-848/33766039?
The CAS number of AE-848/33766039 is 360567-33-5.
What is the molecular formula of AE-848/33766039?
The molecular formula of AE-848/33766039 is C27H19FN2O3S.
What is the molecular weight of AE-848/33766039?
The molecular weight of AE-848/33766039 is 470.11 g/mol.
Where can I buy AE-848/33766039?
You can request a quote for AE-848/33766039 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/33766039?
Yes, KEHONG BIO provides custom synthesis services for AE-848/33766039 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.