AE-848/33207001
TL;DR: AE-848/33207001 (CAS 185409-95-4) is a chemical compound with molecular formula C28H23ClN4O2S and molecular weight 514.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2-anilino-2-oxoethyl)sulfanyl-4-(2-chlorophenyl)-5-cyano-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide
Also Known As: AE-848/33207001, 4-(2-CHLOROPHENYL)-5-CYANO-2-METHYL-N-PHENYL-6-{[(PHENYLCARBAMOYL)METHYL]SULFANYL}-1,4-DIHYDROPYRIDINE-3-CARBOXAMIDE, F0763-0076, 4-(2-chlorophenyl)-5-cyano-2-methyl-6-((2-oxo-2-(phenylamino)ethyl)thio)-N-phenyl-1,4-dihydropyridine-3-carboxamide, 6-(2-anilino-2-oxoethyl)sulfanyl-4-(2-chlorophenyl)-5-cyano-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide
| Molecular Formula | C28H23ClN4O2S |
|---|---|
| Molecular Weight | 514.12 g/mol |
| LogP | 6.04658 |
| Topological Polar Surface Area | 94.02 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 514.12305 |
| Heavy Atoms | 36 |
| Complexity | 1381.4185 |
Chemical Identifiers
| CAS Number | 185409-95-4 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=CC=C2)C#N)C3=CC=CC=C3Cl)C(=O)NC4=CC=CC=C4 |
Product Overview
AE-848/33207001 (CAS 185409-95-4), with molecular formula C28H23ClN4O2S and molecular weight 514.12 g/mol. IUPAC: 6-(2-anilino-2-oxoethyl)sulfanyl-4-(2-chlorophenyl)-5-cyano-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide.
Chemical Property Profile of AE-848/33207001
Property Insights of AE-848/33207001
The XLogP value of 6.04658 indicates that AE-848/33207001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.02 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-848/33207001. Following Lipinski's Rule of Five, AE-848/33207001 has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AE-848/33207001?
The CAS number of AE-848/33207001 is 185409-95-4.
What is the molecular formula of AE-848/33207001?
The molecular formula of AE-848/33207001 is C28H23ClN4O2S.
What is the molecular weight of AE-848/33207001?
The molecular weight of AE-848/33207001 is 514.12 g/mol.
Where can I buy AE-848/33207001?
You can request a quote for AE-848/33207001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/33207001?
Yes, KEHONG BIO provides custom synthesis services for AE-848/33207001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.