![3-(2-chlorophenyl)-8-[(diisobutylamino)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one structure](/static/products/4591/459152-44-4.webp)
3-(2-chlorophenyl)-8-[(diisobutylamino)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one
TL;DR: 3-(2-chlorophenyl)-8-[(diisobutylamino)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one (CAS 459152-44-4) is a chemical compound with molecular formula C25H27ClF3NO3 and molecular weight 481.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[[bis(2-methylpropyl)amino]methyl]-3-(2-chlorophenyl)-7-hydroxy-2-(trifluoromethyl)chromen-4-one
Also Known As: 3-(2-chlorophenyl)-8-[(diisobutylamino)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one, AE-641/40793189, 8-[[bis(2-methylpropyl)amino]methyl]-3-(2-chlorophenyl)-7-hydroxy-2-(trifluoromethyl)chromen-4-one, 8-{[bis(2-methylpropyl)amino]methyl}-3-(2-chlorophenyl)-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one, 3-(2-chlorophenyl)-8-((diisobutylamino)methyl)-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one
| Molecular Formula | C25H27ClF3NO3 |
|---|---|
| Molecular Weight | 481.16 g/mol |
| LogP | 6.9518 |
| Topological Polar Surface Area | 53.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 481.16315 |
| Heavy Atoms | 33 |
| Complexity | 1191.947 |
Chemical Identifiers
| CAS Number | 459152-44-4 |
|---|---|
| SMILES | CC(C)CN(CC1=C(C=CC2=C1OC(=C(C2=O)C3=CC=CC=C3Cl)C(F)(F)F)O)CC(C)C |
Product Overview
3-(2-chlorophenyl)-8-[(diisobutylamino)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one (CAS 459152-44-4), with molecular formula C25H27ClF3NO3 and molecular weight 481.16 g/mol. IUPAC: 8-[[bis(2-methylpropyl)amino]methyl]-3-(2-chlorophenyl)-7-hydroxy-2-(trifluoromethyl)chromen-4-one.
Chemical Property Profile of 3-(2-chlorophenyl)-8-[(diisobutylamino)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one
Property Insights of 3-(2-chlorophenyl)-8-[(diisobutylamino)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one
The XLogP value of 6.9518 indicates that 3-(2-chlorophenyl)-8-[(diisobutylamino)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.68 Ų, 3-(2-chlorophenyl)-8-[(diisobutylamino)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-chlorophenyl)-8-[(diisobutylamino)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one 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 3-(2-chlorophenyl)-8-[(diisobutylamino)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one?
The CAS number of 3-(2-chlorophenyl)-8-[(diisobutylamino)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one is 459152-44-4.
What is the molecular formula of 3-(2-chlorophenyl)-8-[(diisobutylamino)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one?
The molecular formula of 3-(2-chlorophenyl)-8-[(diisobutylamino)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one is C25H27ClF3NO3.
What is the molecular weight of 3-(2-chlorophenyl)-8-[(diisobutylamino)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one?
The molecular weight of 3-(2-chlorophenyl)-8-[(diisobutylamino)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one is 481.16 g/mol.
Where can I buy 3-(2-chlorophenyl)-8-[(diisobutylamino)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one?
You can request a quote for 3-(2-chlorophenyl)-8-[(diisobutylamino)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-chlorophenyl)-8-[(diisobutylamino)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-chlorophenyl)-8-[(diisobutylamino)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.