3,5-bis(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl acetate
TL;DR: 3,5-bis(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl acetate (CAS 312279-72-4) is a chemical compound with molecular formula C24H14N2O6 and molecular weight 426.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,5-bis(4-oxo-3,1-benzoxazin-2-yl)phenyl] acetate
Also Known As: BAS 00762442, BIM-0029188.P001, 3,5-bis(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl acetate, AB00095111-01, [3,5-bis(4-oxo-3,1-benzoxazin-2-yl)phenyl] acetate
| Molecular Formula | C24H14N2O6 |
|---|---|
| Molecular Weight | 426.09 g/mol |
| LogP | 3.9487 |
| Topological Polar Surface Area | 112.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 426.08517 |
| Heavy Atoms | 32 |
| Complexity | 1522.3744 |
Chemical Identifiers
| CAS Number | 312279-72-4 |
|---|---|
| SMILES | CC(=O)OC1=CC(=CC(=C1)C2=NC3=CC=CC=C3C(=O)O2)C4=NC5=CC=CC=C5C(=O)O4 |
Product Overview
3,5-bis(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl acetate (CAS 312279-72-4), with molecular formula C24H14N2O6 and molecular weight 426.09 g/mol. IUPAC: [3,5-bis(4-oxo-3,1-benzoxazin-2-yl)phenyl] acetate.
Chemical Property Profile of 3,5-bis(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl acetate
Property Insights of 3,5-bis(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl acetate
The XLogP value of 3.9487 indicates that 3,5-bis(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-bis(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl acetate. Following Lipinski's Rule of Five, 3,5-bis(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl acetate has 0 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 3,5-bis(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl acetate?
The CAS number of 3,5-bis(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl acetate is 312279-72-4.
What is the molecular formula of 3,5-bis(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl acetate?
The molecular formula of 3,5-bis(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl acetate is C24H14N2O6.
What is the molecular weight of 3,5-bis(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl acetate?
The molecular weight of 3,5-bis(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl acetate is 426.09 g/mol.
Where can I buy 3,5-bis(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl acetate?
You can request a quote for 3,5-bis(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-bis(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3,5-bis(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.