AE-848/37125110
TL;DR: AE-848/37125110 (CAS 231935-13-0) is a chemical compound with molecular formula C22H25FN2O3S and molecular weight 416.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-cyano-6-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-2-methyl-4-(2-methylpropyl)-1,4-dihydropyridine-3-carboxylate
Also Known As: AE-848/37125110, ethyl 5-cyano-6-((2-(4-fluorophenyl)-2-oxoethyl)thio)-4-isobutyl-2-methyl-1,4-dihydropyridine-3-carboxylate, ethyl 5-cyano-6-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-2-methyl-4-(2-methylpropyl)-1,4-dihydropyridine-3-carboxylate, ethyl 5-cyano-6-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-2-methyl-4-(2-methylpropyl)-1,4-dihydropyridine-3-carboxylate, ethyl 5-cyano-6-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-4-isobutyl-2-methyl-1,4-dihydro-3-pyridinecarboxylate
| Molecular Formula | C22H25FN2O3S |
|---|---|
| Molecular Weight | 416.16 g/mol |
| LogP | 4.57938 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 416.15698 |
| Heavy Atoms | 29 |
| Complexity | 882.3136 |
Chemical Identifiers
| CAS Number | 231935-13-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C(C1CC(C)C)C#N)SCC(=O)C2=CC=C(C=C2)F)C |
Product Overview
AE-848/37125110 (CAS 231935-13-0), with molecular formula C22H25FN2O3S and molecular weight 416.16 g/mol. IUPAC: ethyl 5-cyano-6-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-2-methyl-4-(2-methylpropyl)-1,4-dihydropyridine-3-carboxylate.
Chemical Property Profile of AE-848/37125110
Property Insights of AE-848/37125110
The XLogP value of 4.57938 indicates that AE-848/37125110 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-848/37125110. Following Lipinski's Rule of Five, AE-848/37125110 has 1 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-848/37125110?
The CAS number of AE-848/37125110 is 231935-13-0.
What is the molecular formula of AE-848/37125110?
The molecular formula of AE-848/37125110 is C22H25FN2O3S.
What is the molecular weight of AE-848/37125110?
The molecular weight of AE-848/37125110 is 416.16 g/mol.
Where can I buy AE-848/37125110?
You can request a quote for AE-848/37125110 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/37125110?
Yes, KEHONG BIO provides custom synthesis services for AE-848/37125110 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.