methyl 2-(4-methyl-7-((2-methylbenzyl)oxy)-2-oxo-2H-chromen-3-yl)acetate
TL;DR: methyl 2-(4-methyl-7-((2-methylbenzyl)oxy)-2-oxo-2H-chromen-3-yl)acetate (CAS 858757-70-7) 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.
methyl 2-[4-methyl-7-[(2-methylphenyl)methoxy]-2-oxochromen-3-yl]acetate
Also Known As: methyl 2-(4-methyl-7-((2-methylbenzyl)oxy)-2-oxo-2H-chromen-3-yl)acetate, methyl {4-methyl-7-[(2-methylbenzyl)oxy]-2-oxo-2H-chromen-3-yl}acetate, methyl 2-[4-methyl-7-[(2-methylphenyl)methoxy]-2-oxochromen-3-yl]acetate
| Molecular Formula | C21H20O5 |
|---|---|
| Molecular Weight | 352.13 g/mol |
| LogP | 3.70434 |
| Topological Polar Surface Area | 65.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 352.13107 |
| Heavy Atoms | 26 |
| Complexity | 1016.57544 |
Chemical Identifiers
| CAS Number | 858757-70-7 |
|---|---|
| SMILES | CC1=CC=CC=C1COC2=CC3=C(C=C2)C(=C(C(=O)O3)CC(=O)OC)C |
Product Overview
methyl 2-(4-methyl-7-((2-methylbenzyl)oxy)-2-oxo-2H-chromen-3-yl)acetate (CAS 858757-70-7), with molecular formula C21H20O5 and molecular weight 352.13 g/mol. IUPAC: methyl 2-[4-methyl-7-[(2-methylphenyl)methoxy]-2-oxochromen-3-yl]acetate.
Chemical Property Profile of methyl 2-(4-methyl-7-((2-methylbenzyl)oxy)-2-oxo-2H-chromen-3-yl)acetate
Property Insights of methyl 2-(4-methyl-7-((2-methylbenzyl)oxy)-2-oxo-2H-chromen-3-yl)acetate
The XLogP value of 3.70434 indicates that methyl 2-(4-methyl-7-((2-methylbenzyl)oxy)-2-oxo-2H-chromen-3-yl)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.74 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(4-methyl-7-((2-methylbenzyl)oxy)-2-oxo-2H-chromen-3-yl)acetate. Following Lipinski's Rule of Five, methyl 2-(4-methyl-7-((2-methylbenzyl)oxy)-2-oxo-2H-chromen-3-yl)acetate has 0 hydrogen bond donor(s) and 5 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 methyl 2-(4-methyl-7-((2-methylbenzyl)oxy)-2-oxo-2H-chromen-3-yl)acetate?
The CAS number of methyl 2-(4-methyl-7-((2-methylbenzyl)oxy)-2-oxo-2H-chromen-3-yl)acetate is 858757-70-7.
What is the molecular formula of methyl 2-(4-methyl-7-((2-methylbenzyl)oxy)-2-oxo-2H-chromen-3-yl)acetate?
The molecular formula of methyl 2-(4-methyl-7-((2-methylbenzyl)oxy)-2-oxo-2H-chromen-3-yl)acetate is C21H20O5.
What is the molecular weight of methyl 2-(4-methyl-7-((2-methylbenzyl)oxy)-2-oxo-2H-chromen-3-yl)acetate?
The molecular weight of methyl 2-(4-methyl-7-((2-methylbenzyl)oxy)-2-oxo-2H-chromen-3-yl)acetate is 352.13 g/mol.
Where can I buy methyl 2-(4-methyl-7-((2-methylbenzyl)oxy)-2-oxo-2H-chromen-3-yl)acetate?
You can request a quote for methyl 2-(4-methyl-7-((2-methylbenzyl)oxy)-2-oxo-2H-chromen-3-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-(4-methyl-7-((2-methylbenzyl)oxy)-2-oxo-2H-chromen-3-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(4-methyl-7-((2-methylbenzyl)oxy)-2-oxo-2H-chromen-3-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.