2-(5-bromo-2-methoxyphenyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate
TL;DR: 2-(5-bromo-2-methoxyphenyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate (CAS 832680-13-4) is a chemical compound with molecular formula C17H12BrNO5 and molecular weight 388.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(5-bromo-2-methoxyphenyl)-4-oxo-3,1-benzoxazin-6-yl] acetate
Also Known As: 2-(5-bromo-2-methoxyphenyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate, [2-(5-bromo-2-methoxyphenyl)-4-oxo-3,1-benzoxazin-6-yl] acetate, 2-(5-bromo-2-methoxyphenyl)-4-oxo-4H-benzo[d][1,3]oxazin-6-yl acetate
| Molecular Formula | C17H12BrNO5 |
|---|---|
| Molecular Weight | 388.99 g/mol |
| LogP | 3.5514 |
| Topological Polar Surface Area | 78.63 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 388.9899 |
| Heavy Atoms | 24 |
| Complexity | 995.92773 |
Chemical Identifiers
| CAS Number | 832680-13-4 |
|---|---|
| SMILES | CC(=O)OC1=CC2=C(C=C1)N=C(OC2=O)C3=C(C=CC(=C3)Br)OC |
Product Overview
2-(5-bromo-2-methoxyphenyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate (CAS 832680-13-4), with molecular formula C17H12BrNO5 and molecular weight 388.99 g/mol. IUPAC: [2-(5-bromo-2-methoxyphenyl)-4-oxo-3,1-benzoxazin-6-yl] acetate.
Chemical Property Profile of 2-(5-bromo-2-methoxyphenyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate
Property Insights of 2-(5-bromo-2-methoxyphenyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate
The XLogP value of 3.5514 indicates that 2-(5-bromo-2-methoxyphenyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(5-bromo-2-methoxyphenyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate. Following Lipinski's Rule of Five, 2-(5-bromo-2-methoxyphenyl)-4-oxo-4H-3,1-benzoxazin-6-yl 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-(5-bromo-2-methoxyphenyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate?
The CAS number of 2-(5-bromo-2-methoxyphenyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate is 832680-13-4.
What is the molecular formula of 2-(5-bromo-2-methoxyphenyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate?
The molecular formula of 2-(5-bromo-2-methoxyphenyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate is C17H12BrNO5.
What is the molecular weight of 2-(5-bromo-2-methoxyphenyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate?
The molecular weight of 2-(5-bromo-2-methoxyphenyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate is 388.99 g/mol.
Where can I buy 2-(5-bromo-2-methoxyphenyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate?
You can request a quote for 2-(5-bromo-2-methoxyphenyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(5-bromo-2-methoxyphenyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-bromo-2-methoxyphenyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.