AE-848/41828206
TL;DR: AE-848/41828206 (CAS 687592-05-8) is a chemical compound with molecular formula C28H25N3O4S and molecular weight 499.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-cyano-4-(furan-2-yl)-6-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-2-phenyl-1,4-dihydropyridine-3-carboxylate
Also Known As: AE-848/41828206, ethyl 5-cyano-4-(2-furyl)-6-{[2-oxo-2-(2-toluidino)ethyl]sulfanyl}-2-phenyl-1,4-dihydro-3-pyridinecarboxylate, ethyl 5-cyano-4-(furan-2-yl)-6-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-2-phenyl-1,4-dihydropyridine-3-carboxylate, ethyl 5-cyano-4-(furan-2-yl)-6-((2-oxo-2-(o-tolylamino)ethyl)thio)-2-phenyl-1,4-dihydropyridine-3-carboxylate, ETHYL 5-CYANO-4-(FURAN-2-YL)-6-({[(2-METHYLPHENYL)CARBAMOYL]METHYL}SULFANYL)-2-PHENYL-1,4-DIHYDROPYRIDINE-3-CARBOXYLATE
| Molecular Formula | C28H25N3O4S |
|---|---|
| Molecular Weight | 499.16 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 499.1566 |
| Heavy Atoms | 36 |
| Complexity | 930.0 |
Chemical Identifiers
| CAS Number | 687592-05-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C(C1C2=CC=CO2)C#N)SCC(=O)NC3=CC=CC=C3C)C4=CC=CC=C4 |
| InChIKey | LSGHYHPCJQMZLI-UHFFFAOYSA-N |
Product Overview
AE-848/41828206 (CAS 687592-05-8), with molecular formula C28H25N3O4S and molecular weight 499.16 g/mol. IUPAC: ethyl 5-cyano-4-(furan-2-yl)-6-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-2-phenyl-1,4-dihydropyridine-3-carboxylate.
Chemical Property Profile of AE-848/41828206
Property Insights of AE-848/41828206
The XLogP value of 4.8 indicates that AE-848/41828206 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-848/41828206. Following Lipinski's Rule of Five, AE-848/41828206 has 2 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-848/41828206?
The CAS number of AE-848/41828206 is 687592-05-8.
What is the molecular formula of AE-848/41828206?
The molecular formula of AE-848/41828206 is C28H25N3O4S.
What is the molecular weight of AE-848/41828206?
The molecular weight of AE-848/41828206 is 499.16 g/mol.
Where can I buy AE-848/41828206?
You can request a quote for AE-848/41828206 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/41828206?
Yes, KEHONG BIO provides custom synthesis services for AE-848/41828206 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.