![3-{4,8-dimethyl-7-[(2-methylbenzyl)oxy]-2-oxo-2H-chromen-3-yl}propanoic acid structure](/static/products/858/858747-53-2.png)
3-{4,8-dimethyl-7-[(2-methylbenzyl)oxy]-2-oxo-2H-chromen-3-yl}propanoic acid
TL;DR: 3-{4,8-dimethyl-7-[(2-methylbenzyl)oxy]-2-oxo-2H-chromen-3-yl}propanoic acid (CAS 858747-53-2) is a chemical compound with molecular formula C22H22O5 and molecular weight 366.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4,8-dimethyl-7-[(2-methylphenyl)methoxy]-2-oxochromen-3-yl]propanoic acid
Also Known As: EiM07-28297, 3-{4,8-dimethyl-7-[(2-methylbenzyl)oxy]-2-oxo-2H-chromen-3-yl}propanoic acid, 3-(4,8-dimethyl-7-((2-methylbenzyl)oxy)-2-oxo-2H-chromen-3-yl)propanoic acid, 3-[4,8-dimethyl-7-[(2-methylphenyl)methoxy]-2-oxo-chromen-3-yl]propanoic Acid, 3-[4,8-dimethyl-7-[(2-methylphenyl)methoxy]-2-oxochromen-3-yl]propanoic acid
| Molecular Formula | C22H22O5 |
|---|---|
| Molecular Weight | 366.15 g/mol |
| LogP | 4.31446 |
| Topological Polar Surface Area | 76.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 366.14673 |
| Heavy Atoms | 27 |
| Complexity | 1062.2216 |
Chemical Identifiers
| CAS Number | 858747-53-2 |
|---|---|
| SMILES | CC1=CC=CC=C1COC2=C(C3=C(C=C2)C(=C(C(=O)O3)CCC(=O)O)C)C |
Product Overview
3-{4,8-dimethyl-7-[(2-methylbenzyl)oxy]-2-oxo-2H-chromen-3-yl}propanoic acid (CAS 858747-53-2), with molecular formula C22H22O5 and molecular weight 366.15 g/mol. IUPAC: 3-[4,8-dimethyl-7-[(2-methylphenyl)methoxy]-2-oxochromen-3-yl]propanoic acid.
Chemical Property Profile of 3-{4,8-dimethyl-7-[(2-methylbenzyl)oxy]-2-oxo-2H-chromen-3-yl}propanoic acid
Property Insights of 3-{4,8-dimethyl-7-[(2-methylbenzyl)oxy]-2-oxo-2H-chromen-3-yl}propanoic acid
The XLogP value of 4.31446 indicates that 3-{4,8-dimethyl-7-[(2-methylbenzyl)oxy]-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-{4,8-dimethyl-7-[(2-methylbenzyl)oxy]-2-oxo-2H-chromen-3-yl}propanoic acid. Following Lipinski's Rule of Five, 3-{4,8-dimethyl-7-[(2-methylbenzyl)oxy]-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-{4,8-dimethyl-7-[(2-methylbenzyl)oxy]-2-oxo-2H-chromen-3-yl}propanoic acid?
The CAS number of 3-{4,8-dimethyl-7-[(2-methylbenzyl)oxy]-2-oxo-2H-chromen-3-yl}propanoic acid is 858747-53-2.
What is the molecular formula of 3-{4,8-dimethyl-7-[(2-methylbenzyl)oxy]-2-oxo-2H-chromen-3-yl}propanoic acid?
The molecular formula of 3-{4,8-dimethyl-7-[(2-methylbenzyl)oxy]-2-oxo-2H-chromen-3-yl}propanoic acid is C22H22O5.
What is the molecular weight of 3-{4,8-dimethyl-7-[(2-methylbenzyl)oxy]-2-oxo-2H-chromen-3-yl}propanoic acid?
The molecular weight of 3-{4,8-dimethyl-7-[(2-methylbenzyl)oxy]-2-oxo-2H-chromen-3-yl}propanoic acid is 366.15 g/mol.
Where can I buy 3-{4,8-dimethyl-7-[(2-methylbenzyl)oxy]-2-oxo-2H-chromen-3-yl}propanoic acid?
You can request a quote for 3-{4,8-dimethyl-7-[(2-methylbenzyl)oxy]-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-{4,8-dimethyl-7-[(2-methylbenzyl)oxy]-2-oxo-2H-chromen-3-yl}propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{4,8-dimethyl-7-[(2-methylbenzyl)oxy]-2-oxo-2H-chromen-3-yl}propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.