![methyl 4-{[(3,4,7-trimethyl-2-oxo-2H-chromen-5-yl)oxy]methyl}benzoate structure](/static/products/6906/690682-72-5.webp)
methyl 4-{[(3,4,7-trimethyl-2-oxo-2H-chromen-5-yl)oxy]methyl}benzoate
TL;DR: methyl 4-{[(3,4,7-trimethyl-2-oxo-2H-chromen-5-yl)oxy]methyl}benzoate (CAS 690682-72-5) 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 4-[(3,4,7-trimethyl-2-oxochromen-5-yl)oxymethyl]benzoate
Also Known As: methyl 4-{[(3,4,7-trimethyl-2-oxo-2H-chromen-5-yl)oxy]methyl}benzoate, methyl 4-[(3,4,7-trimethyl-2-oxochromen-5-yl)oxymethyl]benzoate
| Molecular Formula | C21H20O5 |
|---|---|
| Molecular Weight | 352.13 g/mol |
| LogP | 4.08386 |
| Topological Polar Surface Area | 65.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 352.13107 |
| Heavy Atoms | 26 |
| Complexity | 1028.9362 |
Chemical Identifiers
| CAS Number | 690682-72-5 |
|---|---|
| SMILES | CC1=CC2=C(C(=C(C(=O)O2)C)C)C(=C1)OCC3=CC=C(C=C3)C(=O)OC |
Product Overview
methyl 4-{[(3,4,7-trimethyl-2-oxo-2H-chromen-5-yl)oxy]methyl}benzoate (CAS 690682-72-5), with molecular formula C21H20O5 and molecular weight 352.13 g/mol. IUPAC: methyl 4-[(3,4,7-trimethyl-2-oxochromen-5-yl)oxymethyl]benzoate.
Chemical Property Profile of methyl 4-{[(3,4,7-trimethyl-2-oxo-2H-chromen-5-yl)oxy]methyl}benzoate
Property Insights of methyl 4-{[(3,4,7-trimethyl-2-oxo-2H-chromen-5-yl)oxy]methyl}benzoate
The XLogP value of 4.08386 indicates that methyl 4-{[(3,4,7-trimethyl-2-oxo-2H-chromen-5-yl)oxy]methyl}benzoate 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 4-{[(3,4,7-trimethyl-2-oxo-2H-chromen-5-yl)oxy]methyl}benzoate. Following Lipinski's Rule of Five, methyl 4-{[(3,4,7-trimethyl-2-oxo-2H-chromen-5-yl)oxy]methyl}benzoate 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 4-{[(3,4,7-trimethyl-2-oxo-2H-chromen-5-yl)oxy]methyl}benzoate?
The CAS number of methyl 4-{[(3,4,7-trimethyl-2-oxo-2H-chromen-5-yl)oxy]methyl}benzoate is 690682-72-5.
What is the molecular formula of methyl 4-{[(3,4,7-trimethyl-2-oxo-2H-chromen-5-yl)oxy]methyl}benzoate?
The molecular formula of methyl 4-{[(3,4,7-trimethyl-2-oxo-2H-chromen-5-yl)oxy]methyl}benzoate is C21H20O5.
What is the molecular weight of methyl 4-{[(3,4,7-trimethyl-2-oxo-2H-chromen-5-yl)oxy]methyl}benzoate?
The molecular weight of methyl 4-{[(3,4,7-trimethyl-2-oxo-2H-chromen-5-yl)oxy]methyl}benzoate is 352.13 g/mol.
Where can I buy methyl 4-{[(3,4,7-trimethyl-2-oxo-2H-chromen-5-yl)oxy]methyl}benzoate?
You can request a quote for methyl 4-{[(3,4,7-trimethyl-2-oxo-2H-chromen-5-yl)oxy]methyl}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-{[(3,4,7-trimethyl-2-oxo-2H-chromen-5-yl)oxy]methyl}benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-{[(3,4,7-trimethyl-2-oxo-2H-chromen-5-yl)oxy]methyl}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.