ChemDiv1_006681
TL;DR: ChemDiv1_006681 (CAS 307534-88-9) is a chemical compound with molecular formula C21H17F3O7 and molecular weight 438.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxyacetate
Also Known As: ChemDiv1_006681, AB01288373-01, methyl 2-((3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl)oxy)acetate, methyl 2-{[3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}acetate, methyl {[3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}acetate
| Molecular Formula | C21H17F3O7 |
|---|---|
| Molecular Weight | 438.09 g/mol |
| LogP | 4.0478 |
| Topological Polar Surface Area | 84.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 438.09265 |
| Heavy Atoms | 31 |
| Complexity | 1182.0325 |
Chemical Identifiers
| CAS Number | 307534-88-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=C(OC3=C(C2=O)C=CC(=C3)OCC(=O)OC)C(F)(F)F)OC |
Product Overview
ChemDiv1_006681 (CAS 307534-88-9), with molecular formula C21H17F3O7 and molecular weight 438.09 g/mol. IUPAC: methyl 2-[3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxyacetate.
Chemical Property Profile of ChemDiv1_006681
Property Insights of ChemDiv1_006681
The XLogP value of 4.0478 indicates that ChemDiv1_006681 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 ChemDiv1_006681. Following Lipinski's Rule of Five, ChemDiv1_006681 has 0 hydrogen bond donor(s) and 7 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 ChemDiv1_006681?
The CAS number of ChemDiv1_006681 is 307534-88-9.
What is the molecular formula of ChemDiv1_006681?
The molecular formula of ChemDiv1_006681 is C21H17F3O7.
What is the molecular weight of ChemDiv1_006681?
The molecular weight of ChemDiv1_006681 is 438.09 g/mol.
Where can I buy ChemDiv1_006681?
You can request a quote for ChemDiv1_006681 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_006681?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_006681 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.