AE-641/40789503
TL;DR: AE-641/40789503 (CAS 384802-95-3) is a chemical compound with molecular formula C21H18F3NO3 and molecular weight 389.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-hydroxy-3-phenyl-8-(pyrrolidin-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one
Also Known As: AE-641/40789503, 7-hydroxy-3-phenyl-8-(pyrrolidin-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one, 4-oxo-3-phenyl-8-(pyrrolidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-7-olate, 7-hydroxy-3-phenyl-8-(1-pyrrolidinylmethyl)-2-(trifluoromethyl)-4H-chromen-4-one, 7-hydroxy-3-phenyl-8-(pyrrolidin-1-ylmethyl)-2-(trifluoromethyl)-4H-chromen-4-one
| Molecular Formula | C21H18F3NO3 |
|---|---|
| Molecular Weight | 389.12 g/mol |
| LogP | 4.7802 |
| Topological Polar Surface Area | 53.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 389.12387 |
| Heavy Atoms | 28 |
| Complexity | 1068.1765 |
Chemical Identifiers
| CAS Number | 384802-95-3 |
|---|---|
| SMILES | C1CCN(C1)CC2=C(C=CC3=C2OC(=C(C3=O)C4=CC=CC=C4)C(F)(F)F)O |
Product Overview
AE-641/40789503 (CAS 384802-95-3), with molecular formula C21H18F3NO3 and molecular weight 389.12 g/mol. IUPAC: 7-hydroxy-3-phenyl-8-(pyrrolidin-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one.
Chemical Property Profile of AE-641/40789503
Property Insights of AE-641/40789503
The XLogP value of 4.7802 indicates that AE-641/40789503 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-641/40789503 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AE-641/40789503 has 1 hydrogen bond donor(s) and 4 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-641/40789503?
The CAS number of AE-641/40789503 is 384802-95-3.
What is the molecular formula of AE-641/40789503?
The molecular formula of AE-641/40789503 is C21H18F3NO3.
What is the molecular weight of AE-641/40789503?
The molecular weight of AE-641/40789503 is 389.12 g/mol.
Where can I buy AE-641/40789503?
You can request a quote for AE-641/40789503 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-641/40789503?
Yes, KEHONG BIO provides custom synthesis services for AE-641/40789503 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.