![[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] heptanoate structure](/static/products/4853/485341-47-7.webp)
[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] heptanoate
TL;DR: [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] heptanoate (CAS 485341-47-7) is a chemical compound with molecular formula C17H21NO5 and molecular weight 319.14 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] heptanoate
Also Known As: [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] heptanoate|2-oxo-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethyl heptanoate|MLS001006183|SMR000349220
| Molecular Formula | C17H21NO5 |
|---|---|
| Molecular Weight | 319.14 g/mol |
| LogP | 2.7138 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 319.14197 |
| Heavy Atoms | 23 |
| Complexity | 596.64655 |
Chemical Identifiers
| CAS Number | 485341-47-7 |
|---|---|
| SMILES | CCCCCCC(=O)OCC(=O)C1=CC2=C(C=C1)OCC(=O)N2 |
Product Overview
[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] heptanoate (CAS 485341-47-7), with molecular formula C17H21NO5 and molecular weight 319.14 g/mol. IUPAC: [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] heptanoate.
Chemical Property Profile of [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] heptanoate
Property Insights of [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] heptanoate
The XLogP value of 2.7138 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] heptanoate. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] heptanoate. Following Lipinski's Rule of Five, [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] heptanoate has 1 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 [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] heptanoate?
The CAS number of [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] heptanoate is 485341-47-7.
What is the molecular formula of [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] heptanoate?
The molecular formula of [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] heptanoate is C17H21NO5.
What is the molecular weight of [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] heptanoate?
The molecular weight of [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] heptanoate is 319.14 g/mol.
Where can I buy [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] heptanoate?
You can request a quote for [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] heptanoate 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] heptanoate?
Yes, KEHONG BIO provides custom synthesis services for [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] heptanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.