2-((2,8-Dimethyl-4-oxo-3-((1-phenyl-1H-pyrazol-4-yl)oxy)-4H-chromen-7-yl)oxy)acetic acid
TL;DR: 2-((2,8-Dimethyl-4-oxo-3-((1-phenyl-1H-pyrazol-4-yl)oxy)-4H-chromen-7-yl)oxy)acetic acid (CAS 618432-52-3) is a chemical compound with molecular formula C22H18N2O6 and molecular weight 406.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2,8-dimethyl-4-oxo-3-(1-phenylpyrazol-4-yl)oxychromen-7-yl]oxyacetic acid
Also Known As: 2-((2,8-Dimethyl-4-oxo-3-((1-phenyl-1H-pyrazol-4-yl)oxy)-4H-chromen-7-yl)oxy)acetic acid, 2-({2,8-dimethyl-4-oxo-3-[(1-phenyl-1H-pyrazol-4-yl)oxy]-4H-chromen-7-yl}oxy)acetic acid, ({2,8-dimethyl-4-oxo-3-[(1-phenyl-1H-pyrazol-4-yl)oxy]-4H-chromen-7-yl}oxy)acetic acid, 2-[2,8-dimethyl-4-oxo-3-(1-phenylpyrazol-4-yl)oxy-chromen-7-yl]oxyacetic Acid, 2-[2,8-dimethyl-4-oxo-3-(1-phenylpyrazol-4-yl)oxychromen-7-yl]oxyacetic acid
| Molecular Formula | C22H18N2O6 |
|---|---|
| Molecular Weight | 406.12 g/mol |
| LogP | 3.85124 |
| Topological Polar Surface Area | 103.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 406.1165 |
| Heavy Atoms | 30 |
| Complexity | 1290.4745 |
Chemical Identifiers
| CAS Number | 618432-52-3 |
|---|---|
| SMILES | CC1=C(C=CC2=C1OC(=C(C2=O)OC3=CN(N=C3)C4=CC=CC=C4)C)OCC(=O)O |
Product Overview
2-((2,8-Dimethyl-4-oxo-3-((1-phenyl-1H-pyrazol-4-yl)oxy)-4H-chromen-7-yl)oxy)acetic acid (CAS 618432-52-3), with molecular formula C22H18N2O6 and molecular weight 406.12 g/mol. IUPAC: 2-[2,8-dimethyl-4-oxo-3-(1-phenylpyrazol-4-yl)oxychromen-7-yl]oxyacetic acid.
Chemical Property Profile of 2-((2,8-Dimethyl-4-oxo-3-((1-phenyl-1H-pyrazol-4-yl)oxy)-4H-chromen-7-yl)oxy)acetic acid
Property Insights of 2-((2,8-Dimethyl-4-oxo-3-((1-phenyl-1H-pyrazol-4-yl)oxy)-4H-chromen-7-yl)oxy)acetic acid
The XLogP value of 3.85124 indicates that 2-((2,8-Dimethyl-4-oxo-3-((1-phenyl-1H-pyrazol-4-yl)oxy)-4H-chromen-7-yl)oxy)acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.79 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((2,8-Dimethyl-4-oxo-3-((1-phenyl-1H-pyrazol-4-yl)oxy)-4H-chromen-7-yl)oxy)acetic acid. Following Lipinski's Rule of Five, 2-((2,8-Dimethyl-4-oxo-3-((1-phenyl-1H-pyrazol-4-yl)oxy)-4H-chromen-7-yl)oxy)acetic acid has 1 hydrogen bond donor(s) and 6 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 2-((2,8-Dimethyl-4-oxo-3-((1-phenyl-1H-pyrazol-4-yl)oxy)-4H-chromen-7-yl)oxy)acetic acid?
The CAS number of 2-((2,8-Dimethyl-4-oxo-3-((1-phenyl-1H-pyrazol-4-yl)oxy)-4H-chromen-7-yl)oxy)acetic acid is 618432-52-3.
What is the molecular formula of 2-((2,8-Dimethyl-4-oxo-3-((1-phenyl-1H-pyrazol-4-yl)oxy)-4H-chromen-7-yl)oxy)acetic acid?
The molecular formula of 2-((2,8-Dimethyl-4-oxo-3-((1-phenyl-1H-pyrazol-4-yl)oxy)-4H-chromen-7-yl)oxy)acetic acid is C22H18N2O6.
What is the molecular weight of 2-((2,8-Dimethyl-4-oxo-3-((1-phenyl-1H-pyrazol-4-yl)oxy)-4H-chromen-7-yl)oxy)acetic acid?
The molecular weight of 2-((2,8-Dimethyl-4-oxo-3-((1-phenyl-1H-pyrazol-4-yl)oxy)-4H-chromen-7-yl)oxy)acetic acid is 406.12 g/mol.
Where can I buy 2-((2,8-Dimethyl-4-oxo-3-((1-phenyl-1H-pyrazol-4-yl)oxy)-4H-chromen-7-yl)oxy)acetic acid?
You can request a quote for 2-((2,8-Dimethyl-4-oxo-3-((1-phenyl-1H-pyrazol-4-yl)oxy)-4H-chromen-7-yl)oxy)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((2,8-Dimethyl-4-oxo-3-((1-phenyl-1H-pyrazol-4-yl)oxy)-4H-chromen-7-yl)oxy)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((2,8-Dimethyl-4-oxo-3-((1-phenyl-1H-pyrazol-4-yl)oxy)-4H-chromen-7-yl)oxy)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.