AE-848/11827108
TL;DR: AE-848/11827108 (CAS 5605-22-1) is a chemical compound with molecular formula C14H16N2O2S and molecular weight 276.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(5-methylfuran-2-yl)-2-oxo-6-propylsulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile
Also Known As: AE-848/11827108, 4-(5-methylfuran-2-yl)-6-oxo-2-(propylsulfanyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile, 4-(5-methylfuran-2-yl)-2-oxo-6-propylsulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile, 4-(5-methyl-2-furyl)-6-oxo-2-(propylsulfanyl)-1,4,5,6-tetrahydro-3-pyridinecarbonitrile, 4-(5-methyl-2-furyl)-6-oxo-2-(propylthio)-1,4,5,6-tetrahydro-3-pyridinecarbonitrile
| Molecular Formula | C14H16N2O2S |
|---|---|
| Molecular Weight | 276.09 g/mol |
| LogP | 3.0699 |
| Topological Polar Surface Area | 66.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 276.09326 |
| Heavy Atoms | 19 |
| Complexity | 554.03735 |
Chemical Identifiers
| CAS Number | 5605-22-1 |
|---|---|
| SMILES | CCCSC1=C(C(CC(=O)N1)C2=CC=C(O2)C)C#N |
Product Overview
AE-848/11827108 (CAS 5605-22-1), with molecular formula C14H16N2O2S and molecular weight 276.09 g/mol. IUPAC: 4-(5-methylfuran-2-yl)-2-oxo-6-propylsulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile.
Chemical Property Profile of AE-848/11827108
Property Insights of AE-848/11827108
The XLogP value of 3.0699 indicates that AE-848/11827108 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.03 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-848/11827108. Following Lipinski's Rule of Five, AE-848/11827108 has 1 hydrogen bond donor(s) and 4 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-848/11827108?
The CAS number of AE-848/11827108 is 5605-22-1.
What is the molecular formula of AE-848/11827108?
The molecular formula of AE-848/11827108 is C14H16N2O2S.
What is the molecular weight of AE-848/11827108?
The molecular weight of AE-848/11827108 is 276.09 g/mol.
Where can I buy AE-848/11827108?
You can request a quote for AE-848/11827108 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/11827108?
Yes, KEHONG BIO provides custom synthesis services for AE-848/11827108 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.