ChemDiv1_006375
TL;DR: ChemDiv1_006375 (CAS 307534-89-0) is a chemical compound with molecular formula C22H19F3O7 and molecular weight 452.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxyacetate
Also Known As: ChemDiv1_006375, AB00287842-02, AF-399/15029033, ethyl {[3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}acetate, ethyl 2-{[3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}acetate
| Molecular Formula | C22H19F3O7 |
|---|---|
| Molecular Weight | 452.11 g/mol |
| LogP | 4.4379 |
| Topological Polar Surface Area | 84.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 452.10828 |
| Heavy Atoms | 32 |
| Complexity | 1198.5743 |
Chemical Identifiers
| CAS Number | 307534-89-0 |
|---|---|
| SMILES | CCOC(=O)COC1=CC2=C(C=C1)C(=O)C(=C(O2)C(F)(F)F)C3=CC(=C(C=C3)OC)OC |
Product Overview
ChemDiv1_006375 (CAS 307534-89-0), with molecular formula C22H19F3O7 and molecular weight 452.11 g/mol. IUPAC: ethyl 2-[3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxyacetate.
Chemical Property Profile of ChemDiv1_006375
Property Insights of ChemDiv1_006375
The XLogP value of 4.4379 indicates that ChemDiv1_006375 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_006375. Following Lipinski's Rule of Five, ChemDiv1_006375 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_006375?
The CAS number of ChemDiv1_006375 is 307534-89-0.
What is the molecular formula of ChemDiv1_006375?
The molecular formula of ChemDiv1_006375 is C22H19F3O7.
What is the molecular weight of ChemDiv1_006375?
The molecular weight of ChemDiv1_006375 is 452.11 g/mol.
Where can I buy ChemDiv1_006375?
You can request a quote for ChemDiv1_006375 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_006375?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_006375 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.