AE-848/32310053
TL;DR: AE-848/32310053 (CAS 317840-97-4) is a chemical compound with molecular formula C24H19ClN2O3 and molecular weight 418.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E,4E)-4-[1-[2-(4-chlorophenyl)-2-oxoethyl]quinolin-4-ylidene]-2-cyanobut-2-enoate
Also Known As: AE-848/32310053, Ethyl 4-[1-[2-(4-chlorophenyl)-2-oxoethyl]-4(1H)-quinolinylidene]-2-cyano-2-butenoate, (2E,4E)-ethyl 4-(1-(2-(4-chlorophenyl)-2-oxoethyl)quinolin-4(1H)-ylidene)-2-cyanobut-2-enoate, ethyl (E,4E)-4-[1-[2-(4-chlorophenyl)-2-oxoethyl]quinolin-4-ylidene]-2-cyanobut-2-enoate, ethyl 4-(1-[2-(4-chlorophenyl)-2-oxoethyl]-4(1H)-quinolinylidene)-2-cyano-2-butenoate
| Molecular Formula | C24H19ClN2O3 |
|---|---|
| Molecular Weight | 418.11 g/mol |
| LogP | 4.95308 |
| Topological Polar Surface Area | 70.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 418.10843 |
| Heavy Atoms | 30 |
| Complexity | 1092.1793 |
Chemical Identifiers
| CAS Number | 317840-97-4 |
|---|---|
| SMILES | CCOC(=O)/C(=C/C=C/1\C=CN(C2=CC=CC=C12)CC(=O)C3=CC=C(C=C3)Cl)/C#N |
Product Overview
AE-848/32310053 (CAS 317840-97-4), with molecular formula C24H19ClN2O3 and molecular weight 418.11 g/mol. IUPAC: ethyl (E,4E)-4-[1-[2-(4-chlorophenyl)-2-oxoethyl]quinolin-4-ylidene]-2-cyanobut-2-enoate.
Chemical Property Profile of AE-848/32310053
Property Insights of AE-848/32310053
The XLogP value of 4.95308 indicates that AE-848/32310053 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.4 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-848/32310053. Following Lipinski's Rule of Five, AE-848/32310053 has 0 hydrogen bond donor(s) and 5 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-848/32310053?
The CAS number of AE-848/32310053 is 317840-97-4.
What is the molecular formula of AE-848/32310053?
The molecular formula of AE-848/32310053 is C24H19ClN2O3.
What is the molecular weight of AE-848/32310053?
The molecular weight of AE-848/32310053 is 418.11 g/mol.
Where can I buy AE-848/32310053?
You can request a quote for AE-848/32310053 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/32310053?
Yes, KEHONG BIO provides custom synthesis services for AE-848/32310053 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.