3-(7-((2-chloro-4-fluorobenzyl)oxy)-4-methyl-2-oxo-2H-chromen-3-yl)propanoic acid
TL;DR: 3-(7-((2-chloro-4-fluorobenzyl)oxy)-4-methyl-2-oxo-2H-chromen-3-yl)propanoic acid (CAS 858751-88-9) is a chemical compound with molecular formula C20H16ClFO5 and molecular weight 390.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[7-[(2-chloro-4-fluorophenyl)methoxy]-4-methyl-2-oxochromen-3-yl]propanoic acid
Also Known As: 3-(7-((2-chloro-4-fluorobenzyl)oxy)-4-methyl-2-oxo-2H-chromen-3-yl)propanoic acid, 3-[7-[(2-chloro-4-fluoro-phenyl)methoxy]-4-methyl-2-oxo-chromen-3-yl]propanoic Acid, 3-[7-[(2-chloro-4-fluorophenyl)methoxy]-4-methyl-2-oxochromen-3-yl]propanoic acid, 3-{7-[(2-chloro-4-fluorobenzyl)oxy]-4-methyl-2-oxo-2H-chromen-3-yl}propanoic acid
| Molecular Formula | C20H16ClFO5 |
|---|---|
| Molecular Weight | 390.07 g/mol |
| LogP | 4.49012 |
| Topological Polar Surface Area | 76.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 390.06702 |
| Heavy Atoms | 27 |
| Complexity | 1073.8905 |
Chemical Identifiers
| CAS Number | 858751-88-9 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=C1C=CC(=C2)OCC3=C(C=C(C=C3)F)Cl)CCC(=O)O |
Product Overview
3-(7-((2-chloro-4-fluorobenzyl)oxy)-4-methyl-2-oxo-2H-chromen-3-yl)propanoic acid (CAS 858751-88-9), with molecular formula C20H16ClFO5 and molecular weight 390.07 g/mol. IUPAC: 3-[7-[(2-chloro-4-fluorophenyl)methoxy]-4-methyl-2-oxochromen-3-yl]propanoic acid.
Chemical Property Profile of 3-(7-((2-chloro-4-fluorobenzyl)oxy)-4-methyl-2-oxo-2H-chromen-3-yl)propanoic acid
Property Insights of 3-(7-((2-chloro-4-fluorobenzyl)oxy)-4-methyl-2-oxo-2H-chromen-3-yl)propanoic acid
The XLogP value of 4.49012 indicates that 3-(7-((2-chloro-4-fluorobenzyl)oxy)-4-methyl-2-oxo-2H-chromen-3-yl)propanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(7-((2-chloro-4-fluorobenzyl)oxy)-4-methyl-2-oxo-2H-chromen-3-yl)propanoic acid. Following Lipinski's Rule of Five, 3-(7-((2-chloro-4-fluorobenzyl)oxy)-4-methyl-2-oxo-2H-chromen-3-yl)propanoic acid has 1 hydrogen bond donor(s) and 4 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-(7-((2-chloro-4-fluorobenzyl)oxy)-4-methyl-2-oxo-2H-chromen-3-yl)propanoic acid?
The CAS number of 3-(7-((2-chloro-4-fluorobenzyl)oxy)-4-methyl-2-oxo-2H-chromen-3-yl)propanoic acid is 858751-88-9.
What is the molecular formula of 3-(7-((2-chloro-4-fluorobenzyl)oxy)-4-methyl-2-oxo-2H-chromen-3-yl)propanoic acid?
The molecular formula of 3-(7-((2-chloro-4-fluorobenzyl)oxy)-4-methyl-2-oxo-2H-chromen-3-yl)propanoic acid is C20H16ClFO5.
What is the molecular weight of 3-(7-((2-chloro-4-fluorobenzyl)oxy)-4-methyl-2-oxo-2H-chromen-3-yl)propanoic acid?
The molecular weight of 3-(7-((2-chloro-4-fluorobenzyl)oxy)-4-methyl-2-oxo-2H-chromen-3-yl)propanoic acid is 390.07 g/mol.
Where can I buy 3-(7-((2-chloro-4-fluorobenzyl)oxy)-4-methyl-2-oxo-2H-chromen-3-yl)propanoic acid?
You can request a quote for 3-(7-((2-chloro-4-fluorobenzyl)oxy)-4-methyl-2-oxo-2H-chromen-3-yl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(7-((2-chloro-4-fluorobenzyl)oxy)-4-methyl-2-oxo-2H-chromen-3-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(7-((2-chloro-4-fluorobenzyl)oxy)-4-methyl-2-oxo-2H-chromen-3-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.