AE-641/40789943
TL;DR: AE-641/40789943 (CAS 385418-85-9) is a chemical compound with molecular formula C23H22F3NO3 and molecular weight 417.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-hydroxy-8-[(2-methylpiperidin-1-yl)methyl]-3-phenyl-2-(trifluoromethyl)chromen-4-one
Also Known As: AE-641/40789943, 7-hydroxy-8-[(2-methylpiperidin-1-yl)methyl]-3-phenyl-2-(trifluoromethyl)chromen-4-one, 7-hydroxy-8-[(2-methyl-1-piperidinyl)methyl]-3-phenyl-2-(trifluoromethyl)-4H-chromen-4-one, 7-hydroxy-8-[(2-methylpiperidyl)methyl]-3-phenyl-2-(trifluoromethyl)chromen-4- one, 7-hydroxy-8-((2-methylpiperidin-1-yl)methyl)-3-phenyl-2-(trifluoromethyl)-4H-chromen-4-one
| Molecular Formula | C23H22F3NO3 |
|---|---|
| Molecular Weight | 417.16 g/mol |
| LogP | 5.5588 |
| Topological Polar Surface Area | 53.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 417.15518 |
| Heavy Atoms | 30 |
| Complexity | 1122.472 |
Chemical Identifiers
| CAS Number | 385418-85-9 |
|---|---|
| SMILES | CC1CCCCN1CC2=C(C=CC3=C2OC(=C(C3=O)C4=CC=CC=C4)C(F)(F)F)O |
Product Overview
AE-641/40789943 (CAS 385418-85-9), with molecular formula C23H22F3NO3 and molecular weight 417.16 g/mol. IUPAC: 7-hydroxy-8-[(2-methylpiperidin-1-yl)methyl]-3-phenyl-2-(trifluoromethyl)chromen-4-one.
Chemical Property Profile of AE-641/40789943
Property Insights of AE-641/40789943
The XLogP value of 5.5588 indicates that AE-641/40789943 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-641/40789943 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AE-641/40789943 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-641/40789943?
The CAS number of AE-641/40789943 is 385418-85-9.
What is the molecular formula of AE-641/40789943?
The molecular formula of AE-641/40789943 is C23H22F3NO3.
What is the molecular weight of AE-641/40789943?
The molecular weight of AE-641/40789943 is 417.16 g/mol.
Where can I buy AE-641/40789943?
You can request a quote for AE-641/40789943 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-641/40789943?
Yes, KEHONG BIO provides custom synthesis services for AE-641/40789943 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.