![[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2,4,5-trimethoxybenzoate structure](/static/products/4535/453515-29-2.webp)
[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2,4,5-trimethoxybenzoate
TL;DR: [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2,4,5-trimethoxybenzoate (CAS 453515-29-2) is a chemical compound with molecular formula C20H19NO8 and molecular weight 401.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2,4,5-trimethoxybenzoate
Also Known As: [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2,4,5-trimethoxybenzoate, 2-oxo-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethyl 2,4,5-trimethoxybenzoate
| Molecular Formula | C20H19NO8 |
|---|---|
| Molecular Weight | 401.11 g/mol |
| LogP | 2.083 |
| Topological Polar Surface Area | 109.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 401.11105 |
| Heavy Atoms | 29 |
| Complexity | 969.19385 |
Chemical Identifiers
| CAS Number | 453515-29-2 |
|---|---|
| SMILES | COC1=CC(=C(C=C1C(=O)OCC(=O)C2=CC3=C(C=C2)OCC(=O)N3)OC)OC |
Product Overview
[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2,4,5-trimethoxybenzoate (CAS 453515-29-2), with molecular formula C20H19NO8 and molecular weight 401.11 g/mol. IUPAC: [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2,4,5-trimethoxybenzoate.
Chemical Property Profile of [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2,4,5-trimethoxybenzoate
Property Insights of [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2,4,5-trimethoxybenzoate
The XLogP value of 2.083 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2,4,5-trimethoxybenzoate. The TPSA of 109.39 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2,4,5-trimethoxybenzoate. Following Lipinski's Rule of Five, [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2,4,5-trimethoxybenzoate has 1 hydrogen bond donor(s) and 8 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 [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2,4,5-trimethoxybenzoate?
The CAS number of [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2,4,5-trimethoxybenzoate is 453515-29-2.
What is the molecular formula of [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2,4,5-trimethoxybenzoate?
The molecular formula of [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2,4,5-trimethoxybenzoate is C20H19NO8.
What is the molecular weight of [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2,4,5-trimethoxybenzoate?
The molecular weight of [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2,4,5-trimethoxybenzoate is 401.11 g/mol.
Where can I buy [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2,4,5-trimethoxybenzoate?
You can request a quote for [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2,4,5-trimethoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2,4,5-trimethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2,4,5-trimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.