2-(4-bromophenyl)-2-oxoethyl (2-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate
TL;DR: 2-(4-bromophenyl)-2-oxoethyl (2-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate (CAS 354766-95-3) is a chemical compound with molecular formula C18H14BrNO5 and molecular weight 403.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-bromophenyl)-2-oxoethyl] 2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetate
Also Known As: BAS 01538425, 2-(4-bromophenyl)-2-oxoethyl (2-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate, [2-(4-bromophenyl)-2-oxoethyl] 2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetate, 2-(4-bromophenyl)-2-oxoethyl 2-(2-oxo-2H-benzo[b][1,4]oxazin-4(3H)-yl)acetate, 2-(4-bromophenyl)-2-oxoethyl 2-(2-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetate
| Molecular Formula | C18H14BrNO5 |
|---|---|
| Molecular Weight | 403.01 g/mol |
| LogP | 2.6006 |
| Topological Polar Surface Area | 72.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 403.00555 |
| Heavy Atoms | 25 |
| Complexity | 818.47107 |
Chemical Identifiers
| CAS Number | 354766-95-3 |
|---|---|
| SMILES | C1C(=O)OC2=CC=CC=C2N1CC(=O)OCC(=O)C3=CC=C(C=C3)Br |
Product Overview
2-(4-bromophenyl)-2-oxoethyl (2-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate (CAS 354766-95-3), with molecular formula C18H14BrNO5 and molecular weight 403.01 g/mol. IUPAC: [2-(4-bromophenyl)-2-oxoethyl] 2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetate.
Chemical Property Profile of 2-(4-bromophenyl)-2-oxoethyl (2-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate
Property Insights of 2-(4-bromophenyl)-2-oxoethyl (2-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate
The XLogP value of 2.6006 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-bromophenyl)-2-oxoethyl (2-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate. The TPSA of 72.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-bromophenyl)-2-oxoethyl (2-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate. Following Lipinski's Rule of Five, 2-(4-bromophenyl)-2-oxoethyl (2-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-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-(4-bromophenyl)-2-oxoethyl (2-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate?
The CAS number of 2-(4-bromophenyl)-2-oxoethyl (2-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate is 354766-95-3.
What is the molecular formula of 2-(4-bromophenyl)-2-oxoethyl (2-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate?
The molecular formula of 2-(4-bromophenyl)-2-oxoethyl (2-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate is C18H14BrNO5.
What is the molecular weight of 2-(4-bromophenyl)-2-oxoethyl (2-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate?
The molecular weight of 2-(4-bromophenyl)-2-oxoethyl (2-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate is 403.01 g/mol.
Where can I buy 2-(4-bromophenyl)-2-oxoethyl (2-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate?
You can request a quote for 2-(4-bromophenyl)-2-oxoethyl (2-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-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-(4-bromophenyl)-2-oxoethyl (2-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-bromophenyl)-2-oxoethyl (2-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.