AE-848/41827289
TL;DR: AE-848/41827289 (CAS 663217-75-2) is a chemical compound with molecular formula C25H31N3O4S and molecular weight 469.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-cyano-6-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-4-(2-ethoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Also Known As: AE-848/41827289, methyl 5-cyano-6-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-4-(2-ethoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate, methyl 5-cyano-6-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-4-(2-ethoxyphenyl)-2-methyl-1,4-dihydro-3-pyridinecarboxylate, methyl 5-cyano-6-((2-(cyclohexylamino)-2-oxoethyl)thio)-4-(2-ethoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate, methyl 5-cyano-6-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-4-(2-ethoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
| Molecular Formula | C25H31N3O4S |
|---|---|
| Molecular Weight | 469.20 g/mol |
| LogP | 4.13638 |
| Topological Polar Surface Area | 100.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 469.20352 |
| Heavy Atoms | 33 |
| Complexity | 989.6113 |
Chemical Identifiers
| CAS Number | 663217-75-2 |
|---|---|
| SMILES | CCOC1=CC=CC=C1C2C(=C(NC(=C2C(=O)OC)C)SCC(=O)NC3CCCCC3)C#N |
Product Overview
AE-848/41827289 (CAS 663217-75-2), with molecular formula C25H31N3O4S and molecular weight 469.20 g/mol. IUPAC: methyl 5-cyano-6-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-4-(2-ethoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate.
Chemical Property Profile of AE-848/41827289
Property Insights of AE-848/41827289
The XLogP value of 4.13638 indicates that AE-848/41827289 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.45 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-848/41827289. Following Lipinski's Rule of Five, AE-848/41827289 has 2 hydrogen bond donor(s) and 7 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-848/41827289?
The CAS number of AE-848/41827289 is 663217-75-2.
What is the molecular formula of AE-848/41827289?
The molecular formula of AE-848/41827289 is C25H31N3O4S.
What is the molecular weight of AE-848/41827289?
The molecular weight of AE-848/41827289 is 469.20 g/mol.
Where can I buy AE-848/41827289?
You can request a quote for AE-848/41827289 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/41827289?
Yes, KEHONG BIO provides custom synthesis services for AE-848/41827289 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.