![{7-[(3,5-dimethylbenzyl)oxy]-4-methyl-2-oxo-2H-chromen-3-yl}acetic acid structure](/static/products/858/858745-25-2.png)
{7-[(3,5-dimethylbenzyl)oxy]-4-methyl-2-oxo-2H-chromen-3-yl}acetic acid
TL;DR: {7-[(3,5-dimethylbenzyl)oxy]-4-methyl-2-oxo-2H-chromen-3-yl}acetic acid (CAS 858745-25-2) is a chemical compound with molecular formula C21H20O5 and molecular weight 352.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[7-[(3,5-dimethylphenyl)methoxy]-4-methyl-2-oxochromen-3-yl]acetic acid
Also Known As: EiM07-16695, {7-[(3,5-dimethylbenzyl)oxy]-4-methyl-2-oxo-2H-chromen-3-yl}acetic acid, 2-[7-[(3,5-dimethylphenyl)methoxy]-4-methyl-2-oxochromen-3-yl]acetic acid, 2-(7-((3,5-dimethylbenzyl)oxy)-4-methyl-2-oxo-2H-chromen-3-yl)acetic acid, 2-[7-[(3,5-dimethylphenyl)methoxy]-4-methyl-2-oxo-chromen-3-yl]acetic Acid
| Molecular Formula | C21H20O5 |
|---|---|
| Molecular Weight | 352.13 g/mol |
| LogP | 3.92436 |
| Topological Polar Surface Area | 76.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 352.13107 |
| Heavy Atoms | 26 |
| Complexity | 1025.9362 |
Chemical Identifiers
| CAS Number | 858745-25-2 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)COC2=CC3=C(C=C2)C(=C(C(=O)O3)CC(=O)O)C)C |
Product Overview
{7-[(3,5-dimethylbenzyl)oxy]-4-methyl-2-oxo-2H-chromen-3-yl}acetic acid (CAS 858745-25-2), with molecular formula C21H20O5 and molecular weight 352.13 g/mol. IUPAC: 2-[7-[(3,5-dimethylphenyl)methoxy]-4-methyl-2-oxochromen-3-yl]acetic acid.
Chemical Property Profile of {7-[(3,5-dimethylbenzyl)oxy]-4-methyl-2-oxo-2H-chromen-3-yl}acetic acid
Property Insights of {7-[(3,5-dimethylbenzyl)oxy]-4-methyl-2-oxo-2H-chromen-3-yl}acetic acid
The XLogP value of 3.92436 indicates that {7-[(3,5-dimethylbenzyl)oxy]-4-methyl-2-oxo-2H-chromen-3-yl}acetic 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 {7-[(3,5-dimethylbenzyl)oxy]-4-methyl-2-oxo-2H-chromen-3-yl}acetic acid. Following Lipinski's Rule of Five, {7-[(3,5-dimethylbenzyl)oxy]-4-methyl-2-oxo-2H-chromen-3-yl}acetic 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 {7-[(3,5-dimethylbenzyl)oxy]-4-methyl-2-oxo-2H-chromen-3-yl}acetic acid?
The CAS number of {7-[(3,5-dimethylbenzyl)oxy]-4-methyl-2-oxo-2H-chromen-3-yl}acetic acid is 858745-25-2.
What is the molecular formula of {7-[(3,5-dimethylbenzyl)oxy]-4-methyl-2-oxo-2H-chromen-3-yl}acetic acid?
The molecular formula of {7-[(3,5-dimethylbenzyl)oxy]-4-methyl-2-oxo-2H-chromen-3-yl}acetic acid is C21H20O5.
What is the molecular weight of {7-[(3,5-dimethylbenzyl)oxy]-4-methyl-2-oxo-2H-chromen-3-yl}acetic acid?
The molecular weight of {7-[(3,5-dimethylbenzyl)oxy]-4-methyl-2-oxo-2H-chromen-3-yl}acetic acid is 352.13 g/mol.
Where can I buy {7-[(3,5-dimethylbenzyl)oxy]-4-methyl-2-oxo-2H-chromen-3-yl}acetic acid?
You can request a quote for {7-[(3,5-dimethylbenzyl)oxy]-4-methyl-2-oxo-2H-chromen-3-yl}acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {7-[(3,5-dimethylbenzyl)oxy]-4-methyl-2-oxo-2H-chromen-3-yl}acetic acid?
Yes, KEHONG BIO provides custom synthesis services for {7-[(3,5-dimethylbenzyl)oxy]-4-methyl-2-oxo-2H-chromen-3-yl}acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.