AE-848/41151072
TL;DR: AE-848/41151072 (CAS 442556-50-5) is a chemical compound with molecular formula C26H24ClN3O3S and molecular weight 493.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 6-[2-(benzylamino)-2-oxoethyl]sulfanyl-4-(4-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate
Also Known As: AE-848/41151072, F1109-0141, prop-2-enyl 6-[2-(benzylamino)-2-oxoethyl]sulfanyl-4-(4-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate, allyl 6-((2-(benzylamino)-2-oxoethyl)thio)-4-(4-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate, PROP-2-EN-1-YL 6-{[(BENZYLCARBAMOYL)METHYL]SULFANYL}-4-(4-CHLOROPHENYL)-5-CYANO-2-METHYL-1,4-DIHYDROPYRIDINE-3-CARBOXYLATE
| Molecular Formula | C26H24ClN3O3S |
|---|---|
| Molecular Weight | 493.12 g/mol |
| LogP | 4.81478 |
| Topological Polar Surface Area | 91.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 493.12268 |
| Heavy Atoms | 34 |
| Complexity | 1168.0271 |
Chemical Identifiers
| CAS Number | 442556-50-5 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)SCC(=O)NCC2=CC=CC=C2)C#N)C3=CC=C(C=C3)Cl)C(=O)OCC=C |
Product Overview
AE-848/41151072 (CAS 442556-50-5), with molecular formula C26H24ClN3O3S and molecular weight 493.12 g/mol. IUPAC: prop-2-enyl 6-[2-(benzylamino)-2-oxoethyl]sulfanyl-4-(4-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate.
Chemical Property Profile of AE-848/41151072
Property Insights of AE-848/41151072
The XLogP value of 4.81478 indicates that AE-848/41151072 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-848/41151072. Following Lipinski's Rule of Five, AE-848/41151072 has 2 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-848/41151072?
The CAS number of AE-848/41151072 is 442556-50-5.
What is the molecular formula of AE-848/41151072?
The molecular formula of AE-848/41151072 is C26H24ClN3O3S.
What is the molecular weight of AE-848/41151072?
The molecular weight of AE-848/41151072 is 493.12 g/mol.
Where can I buy AE-848/41151072?
You can request a quote for AE-848/41151072 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/41151072?
Yes, KEHONG BIO provides custom synthesis services for AE-848/41151072 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.