AE-848/40939255
TL;DR: AE-848/40939255 (CAS 369393-33-9) is a chemical compound with molecular formula C23H20ClN3O4S and molecular weight 469.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-[2-(benzylamino)-2-oxoethyl]sulfanyl-4-(4-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate
Also Known As: AE-848/40939255, methyl 6-[2-(benzylamino)-2-oxoethyl]sulfanyl-4-(4-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate, methyl 6-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-4-(4-chlorophenyl)-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate, methyl 6-((2-(benzylamino)-2-oxoethyl)thio)-4-(4-chlorophenyl)-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate, METHYL 6-{[(BENZYLCARBAMOYL)METHYL]SULFANYL}-4-(4-CHLOROPHENYL)-5-CYANO-2-OXO-1,2,3,4-TETRAHYDROPYRIDINE-3-CARBOXYLATE
| Molecular Formula | C23H20ClN3O4S |
|---|---|
| Molecular Weight | 469.09 g/mol |
| LogP | 3.12738 |
| Topological Polar Surface Area | 108.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 469.0863 |
| Heavy Atoms | 32 |
| Complexity | 1080.6704 |
Chemical Identifiers
| CAS Number | 369393-33-9 |
|---|---|
| SMILES | COC(=O)C1C(C(=C(NC1=O)SCC(=O)NCC2=CC=CC=C2)C#N)C3=CC=C(C=C3)Cl |
Product Overview
AE-848/40939255 (CAS 369393-33-9), with molecular formula C23H20ClN3O4S and molecular weight 469.09 g/mol. IUPAC: methyl 6-[2-(benzylamino)-2-oxoethyl]sulfanyl-4-(4-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate.
Chemical Property Profile of AE-848/40939255
Property Insights of AE-848/40939255
The XLogP value of 3.12738 indicates that AE-848/40939255 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.29 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-848/40939255. Following Lipinski's Rule of Five, AE-848/40939255 has 2 hydrogen bond donor(s) and 6 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-848/40939255?
The CAS number of AE-848/40939255 is 369393-33-9.
What is the molecular formula of AE-848/40939255?
The molecular formula of AE-848/40939255 is C23H20ClN3O4S.
What is the molecular weight of AE-848/40939255?
The molecular weight of AE-848/40939255 is 469.09 g/mol.
Where can I buy AE-848/40939255?
You can request a quote for AE-848/40939255 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/40939255?
Yes, KEHONG BIO provides custom synthesis services for AE-848/40939255 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.