AE-641/40789868
TL;DR: AE-641/40789868 (CAS 459152-43-3) is a chemical compound with molecular formula C21H19ClF3NO3 and molecular weight 425.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-chlorophenyl)-8-(diethylaminomethyl)-7-hydroxy-2-(trifluoromethyl)chromen-4-one
Also Known As: AE-641/40789868, 3-(2-chlorophenyl)-8-[(diethylamino)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one, 3-(2-chlorophenyl)-8-((diethylamino)methyl)-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one, 3-(2-chlorophenyl)-8-(diethylaminomethyl)-7-hydroxy-2-(trifluoromethyl)chromen-4-one, 3-(2-chlorophenyl)-8-[(diethylazaniumyl)methyl]-4-oxo-2-(trifluoromethyl)chromen-7-olate
| Molecular Formula | C21H19ClF3NO3 |
|---|---|
| Molecular Weight | 425.10 g/mol |
| LogP | 5.6796 |
| Topological Polar Surface Area | 53.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 425.10056 |
| Heavy Atoms | 29 |
| Complexity | 1104.7472 |
Chemical Identifiers
| CAS Number | 459152-43-3 |
|---|---|
| SMILES | CCN(CC)CC1=C(C=CC2=C1OC(=C(C2=O)C3=CC=CC=C3Cl)C(F)(F)F)O |
Product Overview
AE-641/40789868 (CAS 459152-43-3), with molecular formula C21H19ClF3NO3 and molecular weight 425.10 g/mol. IUPAC: 3-(2-chlorophenyl)-8-(diethylaminomethyl)-7-hydroxy-2-(trifluoromethyl)chromen-4-one.
Chemical Property Profile of AE-641/40789868
Property Insights of AE-641/40789868
The XLogP value of 5.6796 indicates that AE-641/40789868 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.68 Ų, AE-641/40789868 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AE-641/40789868 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AE-641/40789868?
The CAS number of AE-641/40789868 is 459152-43-3.
What is the molecular formula of AE-641/40789868?
The molecular formula of AE-641/40789868 is C21H19ClF3NO3.
What is the molecular weight of AE-641/40789868?
The molecular weight of AE-641/40789868 is 425.10 g/mol.
Where can I buy AE-641/40789868?
You can request a quote for AE-641/40789868 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-641/40789868?
Yes, KEHONG BIO provides custom synthesis services for AE-641/40789868 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.