allyl 3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl carbonate
TL;DR: allyl 3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl carbonate (CAS 449148-04-3) is a chemical compound with molecular formula C22H17F3O7 and molecular weight 450.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] prop-2-enyl carbonate
Also Known As: allyl 3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl carbonate, AP-906/41249546, [3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] prop-2-enyl carbonate, 3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl prop-2-enyloxyfo rmate
| Molecular Formula | C22H17F3O7 |
|---|---|
| Molecular Weight | 450.09 g/mol |
| LogP | 5.1974 |
| Topological Polar Surface Area | 84.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 450.09265 |
| Heavy Atoms | 32 |
| Complexity | 1228.6471 |
Chemical Identifiers
| CAS Number | 449148-04-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)OCC=C)C(F)(F)F)OC |
Product Overview
allyl 3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl carbonate (CAS 449148-04-3), with molecular formula C22H17F3O7 and molecular weight 450.09 g/mol. IUPAC: [3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] prop-2-enyl carbonate.
Chemical Property Profile of allyl 3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl carbonate
Property Insights of allyl 3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl carbonate
The XLogP value of 5.1974 indicates that allyl 3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl carbonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for allyl 3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl carbonate. Following Lipinski's Rule of Five, allyl 3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl carbonate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of allyl 3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl carbonate?
The CAS number of allyl 3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl carbonate is 449148-04-3.
What is the molecular formula of allyl 3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl carbonate?
The molecular formula of allyl 3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl carbonate is C22H17F3O7.
What is the molecular weight of allyl 3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl carbonate?
The molecular weight of allyl 3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl carbonate is 450.09 g/mol.
Where can I buy allyl 3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl carbonate?
You can request a quote for allyl 3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl carbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for allyl 3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl carbonate?
Yes, KEHONG BIO provides custom synthesis services for allyl 3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl carbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.