AE-848/11419236
TL;DR: AE-848/11419236 (CAS 330557-79-4) is a chemical compound with molecular formula C28H25N3O3S2 and molecular weight 515.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-cyano-6-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-2-methyl-N-(2-methylphenyl)-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide
Also Known As: AE-848/11419236, 5-cyano-6-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-2-methyl-N-(2-methylphenyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide, 5-cyano-6-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-2-methyl-4-(thiophen-2-yl)-N-(o-tolyl)-1,4-dihydropyridine-3-carboxamide, 5-cyano-6-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-2-methyl-N-(2-methylphenyl)-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide, 5-cyano-6-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-2-methyl-N-(2-methylphenyl)-4-(2-thienyl)-1,4-dihydro-3-pyridinecarboxamide
| Molecular Formula | C28H25N3O3S2 |
|---|---|
| Molecular Weight | 515.13 g/mol |
| LogP | 6.0159 |
| Topological Polar Surface Area | 91.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 515.1337 |
| Heavy Atoms | 36 |
| Complexity | 1384.148 |
Chemical Identifiers
| CAS Number | 330557-79-4 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)C2=C(NC(=C(C2C3=CC=CS3)C#N)SCC(=O)C4=CC=C(C=C4)OC)C |
Product Overview
AE-848/11419236 (CAS 330557-79-4), with molecular formula C28H25N3O3S2 and molecular weight 515.13 g/mol. IUPAC: 5-cyano-6-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-2-methyl-N-(2-methylphenyl)-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide.
Chemical Property Profile of AE-848/11419236
Property Insights of AE-848/11419236
The XLogP value of 6.0159 indicates that AE-848/11419236 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.22 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-848/11419236. Following Lipinski's Rule of Five, AE-848/11419236 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AE-848/11419236?
The CAS number of AE-848/11419236 is 330557-79-4.
What is the molecular formula of AE-848/11419236?
The molecular formula of AE-848/11419236 is C28H25N3O3S2.
What is the molecular weight of AE-848/11419236?
The molecular weight of AE-848/11419236 is 515.13 g/mol.
Where can I buy AE-848/11419236?
You can request a quote for AE-848/11419236 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/11419236?
Yes, KEHONG BIO provides custom synthesis services for AE-848/11419236 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.