3-benzyl-2-oxo-2H-chromen-4-yl 3,4,5-trimethoxybenzoate
TL;DR: 3-benzyl-2-oxo-2H-chromen-4-yl 3,4,5-trimethoxybenzoate (CAS 672265-27-9) is a chemical compound with molecular formula C26H22O7 and molecular weight 446.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-benzyl-2-oxochromen-4-yl) 3,4,5-trimethoxybenzoate
Also Known As: 3-benzyl-2-oxo-2H-chromen-4-yl 3,4,5-trimethoxybenzoate, (3-benzyl-2-oxochromen-4-yl) 3,4,5-trimethoxybenzoate, (3-benzyl-2-oxo-chromen-4-yl) 3,4,5-trimethoxybenzoate
| Molecular Formula | C26H22O7 |
|---|---|
| Molecular Weight | 446.14 g/mol |
| LogP | 4.6288 |
| Topological Polar Surface Area | 84.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 446.13657 |
| Heavy Atoms | 33 |
| Complexity | 1331.4342 |
Chemical Identifiers
| CAS Number | 672265-27-9 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)OC2=C(C(=O)OC3=CC=CC=C32)CC4=CC=CC=C4 |
Product Overview
3-benzyl-2-oxo-2H-chromen-4-yl 3,4,5-trimethoxybenzoate (CAS 672265-27-9), with molecular formula C26H22O7 and molecular weight 446.14 g/mol. IUPAC: (3-benzyl-2-oxochromen-4-yl) 3,4,5-trimethoxybenzoate.
Chemical Property Profile of 3-benzyl-2-oxo-2H-chromen-4-yl 3,4,5-trimethoxybenzoate
Property Insights of 3-benzyl-2-oxo-2H-chromen-4-yl 3,4,5-trimethoxybenzoate
The XLogP value of 4.6288 indicates that 3-benzyl-2-oxo-2H-chromen-4-yl 3,4,5-trimethoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-benzyl-2-oxo-2H-chromen-4-yl 3,4,5-trimethoxybenzoate. Following Lipinski's Rule of Five, 3-benzyl-2-oxo-2H-chromen-4-yl 3,4,5-trimethoxybenzoate has 0 hydrogen bond donor(s) and 7 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-benzyl-2-oxo-2H-chromen-4-yl 3,4,5-trimethoxybenzoate?
The CAS number of 3-benzyl-2-oxo-2H-chromen-4-yl 3,4,5-trimethoxybenzoate is 672265-27-9.
What is the molecular formula of 3-benzyl-2-oxo-2H-chromen-4-yl 3,4,5-trimethoxybenzoate?
The molecular formula of 3-benzyl-2-oxo-2H-chromen-4-yl 3,4,5-trimethoxybenzoate is C26H22O7.
What is the molecular weight of 3-benzyl-2-oxo-2H-chromen-4-yl 3,4,5-trimethoxybenzoate?
The molecular weight of 3-benzyl-2-oxo-2H-chromen-4-yl 3,4,5-trimethoxybenzoate is 446.14 g/mol.
Where can I buy 3-benzyl-2-oxo-2H-chromen-4-yl 3,4,5-trimethoxybenzoate?
You can request a quote for 3-benzyl-2-oxo-2H-chromen-4-yl 3,4,5-trimethoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-benzyl-2-oxo-2H-chromen-4-yl 3,4,5-trimethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-benzyl-2-oxo-2H-chromen-4-yl 3,4,5-trimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.