AE-848/11419235
TL;DR: AE-848/11419235 (CAS 277756-57-7) is a chemical compound with molecular formula C27H22ClN3O2S2 and molecular weight 519.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-5-cyano-2-methyl-N-(2-methylphenyl)-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide
Also Known As: AE-848/11419235, 6-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-5-cyano-2-methyl-N-(2-methylphenyl)-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide, 6-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-N-(2-methylphenyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide, 6-((2-(4-chlorophenyl)-2-oxoethyl)thio)-5-cyano-2-methyl-4-(thiophen-2-yl)-N-(o-tolyl)-1,4-dihydropyridine-3-carboxamide, 6-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-5-cyano-2-methyl-N-(o-tolyl)-4-(2-thienyl)-1,4-dihydropyridine-3-carboxamide
| Molecular Formula | C27H22ClN3O2S2 |
|---|---|
| Molecular Weight | 519.08 g/mol |
| LogP | 6.6607 |
| Topological Polar Surface Area | 81.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 519.08417 |
| Heavy Atoms | 35 |
| Complexity | 1370.1628 |
Chemical Identifiers
| CAS Number | 277756-57-7 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)C2=C(NC(=C(C2C3=CC=CS3)C#N)SCC(=O)C4=CC=C(C=C4)Cl)C |
Product Overview
AE-848/11419235 (CAS 277756-57-7), with molecular formula C27H22ClN3O2S2 and molecular weight 519.08 g/mol. IUPAC: 6-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-5-cyano-2-methyl-N-(2-methylphenyl)-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide.
Chemical Property Profile of AE-848/11419235
Property Insights of AE-848/11419235
The XLogP value of 6.6607 indicates that AE-848/11419235 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.99 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-848/11419235. Following Lipinski's Rule of Five, AE-848/11419235 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AE-848/11419235?
The CAS number of AE-848/11419235 is 277756-57-7.
What is the molecular formula of AE-848/11419235?
The molecular formula of AE-848/11419235 is C27H22ClN3O2S2.
What is the molecular weight of AE-848/11419235?
The molecular weight of AE-848/11419235 is 519.08 g/mol.
Where can I buy AE-848/11419235?
You can request a quote for AE-848/11419235 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/11419235?
Yes, KEHONG BIO provides custom synthesis services for AE-848/11419235 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.