![methyl 2-{[3-(1,3-benzodioxol-5-yl)-4-oxo-6-propyl-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}propanoate structure](/static/products/227/227094-83-9.png)
methyl 2-{[3-(1,3-benzodioxol-5-yl)-4-oxo-6-propyl-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}propanoate
TL;DR: methyl 2-{[3-(1,3-benzodioxol-5-yl)-4-oxo-6-propyl-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}propanoate (CAS 227094-83-9) is a chemical compound with molecular formula C24H21F3O7 and molecular weight 478.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[3-(1,3-benzodioxol-5-yl)-4-oxo-6-propyl-2-(trifluoromethyl)chromen-7-yl]oxypropanoate
Also Known As: methyl 2-{[3-(1,3-benzodioxol-5-yl)-4-oxo-6-propyl-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}propanoate, methyl 2-((3-(benzo[d][1,3]dioxol-5-yl)-4-oxo-6-propyl-2-(trifluoromethyl)-4H-chromen-7-yl)oxy)propanoate, methyl 2-[3-(1,3-benzodioxol-5-yl)-4-oxo-6-propyl-2-(trifluoromethyl)chromen-7-yl]oxypropanoate, methyl 2-[3-(2H-benzo[3,4-d]1,3-dioxolan-5-yl)-4-oxo-6-propyl-2-(trifluorometh yl)chromen-7-yloxy]propanoate
| Molecular Formula | C24H21F3O7 |
|---|---|
| Molecular Weight | 478.12 g/mol |
| LogP | 5.1003 |
| Topological Polar Surface Area | 84.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 478.12393 |
| Heavy Atoms | 34 |
| Complexity | 1310.6351 |
Chemical Identifiers
| CAS Number | 227094-83-9 |
|---|---|
| SMILES | CCCC1=CC2=C(C=C1OC(C)C(=O)OC)OC(=C(C2=O)C3=CC4=C(C=C3)OCO4)C(F)(F)F |
Product Overview
methyl 2-{[3-(1,3-benzodioxol-5-yl)-4-oxo-6-propyl-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}propanoate (CAS 227094-83-9), with molecular formula C24H21F3O7 and molecular weight 478.12 g/mol. IUPAC: methyl 2-[3-(1,3-benzodioxol-5-yl)-4-oxo-6-propyl-2-(trifluoromethyl)chromen-7-yl]oxypropanoate.
Chemical Property Profile of methyl 2-{[3-(1,3-benzodioxol-5-yl)-4-oxo-6-propyl-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}propanoate
Property Insights of methyl 2-{[3-(1,3-benzodioxol-5-yl)-4-oxo-6-propyl-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}propanoate
The XLogP value of 5.1003 indicates that methyl 2-{[3-(1,3-benzodioxol-5-yl)-4-oxo-6-propyl-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}propanoate 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 methyl 2-{[3-(1,3-benzodioxol-5-yl)-4-oxo-6-propyl-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}propanoate. Following Lipinski's Rule of Five, methyl 2-{[3-(1,3-benzodioxol-5-yl)-4-oxo-6-propyl-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}propanoate 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 methyl 2-{[3-(1,3-benzodioxol-5-yl)-4-oxo-6-propyl-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}propanoate?
The CAS number of methyl 2-{[3-(1,3-benzodioxol-5-yl)-4-oxo-6-propyl-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}propanoate is 227094-83-9.
What is the molecular formula of methyl 2-{[3-(1,3-benzodioxol-5-yl)-4-oxo-6-propyl-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}propanoate?
The molecular formula of methyl 2-{[3-(1,3-benzodioxol-5-yl)-4-oxo-6-propyl-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}propanoate is C24H21F3O7.
What is the molecular weight of methyl 2-{[3-(1,3-benzodioxol-5-yl)-4-oxo-6-propyl-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}propanoate?
The molecular weight of methyl 2-{[3-(1,3-benzodioxol-5-yl)-4-oxo-6-propyl-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}propanoate is 478.12 g/mol.
Where can I buy methyl 2-{[3-(1,3-benzodioxol-5-yl)-4-oxo-6-propyl-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}propanoate?
You can request a quote for methyl 2-{[3-(1,3-benzodioxol-5-yl)-4-oxo-6-propyl-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-{[3-(1,3-benzodioxol-5-yl)-4-oxo-6-propyl-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}propanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-{[3-(1,3-benzodioxol-5-yl)-4-oxo-6-propyl-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.