AE-848/41151116
TL;DR: AE-848/41151116 (CAS 488707-69-3) is a chemical compound with molecular formula C26H27N3O6S and molecular weight 509.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-cyano-4-(2-ethoxyphenyl)-6-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate
Also Known As: AE-848/41151116, ethyl 5-cyano-4-(2-ethoxyphenyl)-6-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate, ethyl 5-cyano-4-(2-ethoxyphenyl)-6-((2-((3-methoxyphenyl)amino)-2-oxoethyl)thio)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate, ethyl 5-cyano-4-(2-ethoxyphenyl)-6-({2-[(3-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate, ethyl 5-cyano-4-(2-ethoxyphenyl)-6-{[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl}-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
| Molecular Formula | C26H27N3O6S |
|---|---|
| Molecular Weight | 509.16 g/mol |
| LogP | 3.59368 |
| Topological Polar Surface Area | 126.75 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 509.16205 |
| Heavy Atoms | 36 |
| Complexity | 1206.1609 |
Chemical Identifiers
| CAS Number | 488707-69-3 |
|---|---|
| SMILES | CCOC1=CC=CC=C1C2C(C(=O)NC(=C2C#N)SCC(=O)NC3=CC(=CC=C3)OC)C(=O)OCC |
Product Overview
AE-848/41151116 (CAS 488707-69-3), with molecular formula C26H27N3O6S and molecular weight 509.16 g/mol. IUPAC: ethyl 5-cyano-4-(2-ethoxyphenyl)-6-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate.
Chemical Property Profile of AE-848/41151116
Property Insights of AE-848/41151116
The XLogP value of 3.59368 indicates that AE-848/41151116 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.75 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-848/41151116. Following Lipinski's Rule of Five, AE-848/41151116 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AE-848/41151116?
The CAS number of AE-848/41151116 is 488707-69-3.
What is the molecular formula of AE-848/41151116?
The molecular formula of AE-848/41151116 is C26H27N3O6S.
What is the molecular weight of AE-848/41151116?
The molecular weight of AE-848/41151116 is 509.16 g/mol.
Where can I buy AE-848/41151116?
You can request a quote for AE-848/41151116 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/41151116?
Yes, KEHONG BIO provides custom synthesis services for AE-848/41151116 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.