AE-848/41151207
TL;DR: AE-848/41151207 (CAS 488809-85-4) is a chemical compound with molecular formula C23H19ClFN3O4S and molecular weight 487.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-5-cyano-4-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate
Also Known As: AE-848/41151207, methyl 6-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-5-cyano-4-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate, methyl 6-((2-((3-chloro-2-methylphenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(2-fluorophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate, METHYL 6-({[(3-CHLORO-2-METHYLPHENYL)CARBAMOYL]METHYL}SULFANYL)-5-CYANO-4-(2-FLUOROPHENYL)-2-OXO-1,2,3,4-TETRAHYDROPYRIDINE-3-CARBOXYLATE, methyl 6-({2-[(3-chloro-2-methylphenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-4-(2-fluorophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
| Molecular Formula | C23H19ClFN3O4S |
|---|---|
| Molecular Weight | 487.08 g/mol |
| LogP | 3.8972 |
| Topological Polar Surface Area | 108.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 487.07687 |
| Heavy Atoms | 33 |
| Complexity | 1194.4692 |
Chemical Identifiers
| CAS Number | 488809-85-4 |
|---|---|
| SMILES | CC1=C(C=CC=C1Cl)NC(=O)CSC2=C(C(C(C(=O)N2)C(=O)OC)C3=CC=CC=C3F)C#N |
Product Overview
AE-848/41151207 (CAS 488809-85-4), with molecular formula C23H19ClFN3O4S and molecular weight 487.08 g/mol. IUPAC: methyl 6-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-5-cyano-4-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate.
Chemical Property Profile of AE-848/41151207
Property Insights of AE-848/41151207
The XLogP value of 3.8972 indicates that AE-848/41151207 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-848/41151207. Following Lipinski's Rule of Five, AE-848/41151207 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-848/41151207?
The CAS number of AE-848/41151207 is 488809-85-4.
What is the molecular formula of AE-848/41151207?
The molecular formula of AE-848/41151207 is C23H19ClFN3O4S.
What is the molecular weight of AE-848/41151207?
The molecular weight of AE-848/41151207 is 487.08 g/mol.
Where can I buy AE-848/41151207?
You can request a quote for AE-848/41151207 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/41151207?
Yes, KEHONG BIO provides custom synthesis services for AE-848/41151207 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.