2-(1-acetyl-4-oxo-1,4-dihydro-2H-3,1-benzoxazin-2-yl)-6-methoxyphenyl acetate
TL;DR: 2-(1-acetyl-4-oxo-1,4-dihydro-2H-3,1-benzoxazin-2-yl)-6-methoxyphenyl acetate (CAS 899405-22-2) is a chemical compound with molecular formula C19H17NO6 and molecular weight 355.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(1-acetyl-4-oxo-2H-3,1-benzoxazin-2-yl)-6-methoxyphenyl] acetate
Also Known As: ChemDiv2_001537, [2-(1-acetyl-4-oxo-2H-3,1-benzoxazin-2-yl)-6-methoxyphenyl] acetate, 2-(1-acetyl-4-oxo-1,4-dihydro-2H-3,1-benzoxazin-2-yl)-6-methoxyphenyl acetate, 2-(1-acetyl-4-oxo-2,4-dihydro-1H-benzo[d][1,3]oxazin-2-yl)-6-methoxyphenyl acetate
| Molecular Formula | C19H17NO6 |
|---|---|
| Molecular Weight | 355.11 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 82.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 355.1056 |
| Heavy Atoms | 26 |
| Complexity | 564.0 |
Chemical Identifiers
| CAS Number | 899405-22-2 |
|---|---|
| SMILES | CC(=O)N1C(OC(=O)C2=CC=CC=C21)C3=C(C(=CC=C3)OC)OC(=O)C |
| InChIKey | DJAUIKANDHEFEV-UHFFFAOYSA-N |
Product Overview
2-(1-acetyl-4-oxo-1,4-dihydro-2H-3,1-benzoxazin-2-yl)-6-methoxyphenyl acetate (CAS 899405-22-2), with molecular formula C19H17NO6 and molecular weight 355.11 g/mol. IUPAC: [2-(1-acetyl-4-oxo-2H-3,1-benzoxazin-2-yl)-6-methoxyphenyl] acetate.
Chemical Property Profile of 2-(1-acetyl-4-oxo-1,4-dihydro-2H-3,1-benzoxazin-2-yl)-6-methoxyphenyl acetate
Property Insights of 2-(1-acetyl-4-oxo-1,4-dihydro-2H-3,1-benzoxazin-2-yl)-6-methoxyphenyl acetate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1-acetyl-4-oxo-1,4-dihydro-2H-3,1-benzoxazin-2-yl)-6-methoxyphenyl acetate. The TPSA of 82.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1-acetyl-4-oxo-1,4-dihydro-2H-3,1-benzoxazin-2-yl)-6-methoxyphenyl acetate. Following Lipinski's Rule of Five, 2-(1-acetyl-4-oxo-1,4-dihydro-2H-3,1-benzoxazin-2-yl)-6-methoxyphenyl acetate has 0 hydrogen bond donor(s) and 6 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-(1-acetyl-4-oxo-1,4-dihydro-2H-3,1-benzoxazin-2-yl)-6-methoxyphenyl acetate?
The CAS number of 2-(1-acetyl-4-oxo-1,4-dihydro-2H-3,1-benzoxazin-2-yl)-6-methoxyphenyl acetate is 899405-22-2.
What is the molecular formula of 2-(1-acetyl-4-oxo-1,4-dihydro-2H-3,1-benzoxazin-2-yl)-6-methoxyphenyl acetate?
The molecular formula of 2-(1-acetyl-4-oxo-1,4-dihydro-2H-3,1-benzoxazin-2-yl)-6-methoxyphenyl acetate is C19H17NO6.
What is the molecular weight of 2-(1-acetyl-4-oxo-1,4-dihydro-2H-3,1-benzoxazin-2-yl)-6-methoxyphenyl acetate?
The molecular weight of 2-(1-acetyl-4-oxo-1,4-dihydro-2H-3,1-benzoxazin-2-yl)-6-methoxyphenyl acetate is 355.11 g/mol.
Where can I buy 2-(1-acetyl-4-oxo-1,4-dihydro-2H-3,1-benzoxazin-2-yl)-6-methoxyphenyl acetate?
You can request a quote for 2-(1-acetyl-4-oxo-1,4-dihydro-2H-3,1-benzoxazin-2-yl)-6-methoxyphenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-acetyl-4-oxo-1,4-dihydro-2H-3,1-benzoxazin-2-yl)-6-methoxyphenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-acetyl-4-oxo-1,4-dihydro-2H-3,1-benzoxazin-2-yl)-6-methoxyphenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.