3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-(dimethylaminomethyl)-7-hydroxy-2-(trifluoromethyl)chromen-4-one
TL;DR: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-(dimethylaminomethyl)-7-hydroxy-2-(trifluoromethyl)chromen-4-one (CAS 171008-82-5) is a chemical compound with molecular formula C21H18F3NO5 and molecular weight 421.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-[(dimethylamino)methyl]-7-hydroxy-2-(trifluoromethyl)chromen-4-one
Also Known As: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-(dimethylaminomethyl)-7-hydroxy-2-(trifluoromethyl)chromen-4-one, 3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-8-((dimethylamino)methyl)-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one
| Molecular Formula | C21H18F3NO5 |
|---|---|
| Molecular Weight | 421.11 g/mol |
| LogP | 4.0172 |
| Topological Polar Surface Area | 72.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 421.1137 |
| Heavy Atoms | 30 |
| Complexity | 1183.9462 |
Chemical Identifiers
| CAS Number | 171008-82-5 |
|---|---|
| SMILES | CN(C)CC1=C(C=CC2=C1OC(=C(C2=O)C3=CC4=C(C=C3)OCCO4)C(F)(F)F)O |
Product Overview
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-(dimethylaminomethyl)-7-hydroxy-2-(trifluoromethyl)chromen-4-one (CAS 171008-82-5), with molecular formula C21H18F3NO5 and molecular weight 421.11 g/mol. IUPAC: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-[(dimethylamino)methyl]-7-hydroxy-2-(trifluoromethyl)chromen-4-one.
Chemical Property Profile of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-(dimethylaminomethyl)-7-hydroxy-2-(trifluoromethyl)chromen-4-one
Property Insights of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-(dimethylaminomethyl)-7-hydroxy-2-(trifluoromethyl)chromen-4-one
The XLogP value of 4.0172 indicates that 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-(dimethylaminomethyl)-7-hydroxy-2-(trifluoromethyl)chromen-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-(dimethylaminomethyl)-7-hydroxy-2-(trifluoromethyl)chromen-4-one. Following Lipinski's Rule of Five, 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-(dimethylaminomethyl)-7-hydroxy-2-(trifluoromethyl)chromen-4-one has 1 hydrogen bond donor(s) and 6 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 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-(dimethylaminomethyl)-7-hydroxy-2-(trifluoromethyl)chromen-4-one?
The CAS number of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-(dimethylaminomethyl)-7-hydroxy-2-(trifluoromethyl)chromen-4-one is 171008-82-5.
What is the molecular formula of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-(dimethylaminomethyl)-7-hydroxy-2-(trifluoromethyl)chromen-4-one?
The molecular formula of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-(dimethylaminomethyl)-7-hydroxy-2-(trifluoromethyl)chromen-4-one is C21H18F3NO5.
What is the molecular weight of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-(dimethylaminomethyl)-7-hydroxy-2-(trifluoromethyl)chromen-4-one?
The molecular weight of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-(dimethylaminomethyl)-7-hydroxy-2-(trifluoromethyl)chromen-4-one is 421.11 g/mol.
Where can I buy 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-(dimethylaminomethyl)-7-hydroxy-2-(trifluoromethyl)chromen-4-one?
You can request a quote for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-(dimethylaminomethyl)-7-hydroxy-2-(trifluoromethyl)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-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-(dimethylaminomethyl)-7-hydroxy-2-(trifluoromethyl)chromen-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-(dimethylaminomethyl)-7-hydroxy-2-(trifluoromethyl)chromen-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.