6-bromo-2-(4-tert-butylphenyl)-4H-3,1-benzoxazin-4-one
TL;DR: 6-bromo-2-(4-tert-butylphenyl)-4H-3,1-benzoxazin-4-one (CAS 117145-51-4) is a chemical compound with molecular formula C18H16BrNO2 and molecular weight 357.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-bromo-2-(4-tert-butylphenyl)-3,1-benzoxazin-4-one
Also Known As: J3.641.100G, 6-bromo-2-(4-tert-butylphenyl)-4H-3,1-benzoxazin-4-one, 6-bromo-2-(4-tert-butylphenyl)-3,1-benzoxazin-4-one, 2-(4-tert-Butylphenyl)-6-bromo-4H-3,1-benzooxazine-4-one, 6-bromo-2-(4-(tert-butyl)phenyl)-4H-benzo[d][1,3]oxazin-4-one
| Molecular Formula | C18H16BrNO2 |
|---|---|
| Molecular Weight | 357.04 g/mol |
| LogP | 4.915 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 357.03644 |
| Heavy Atoms | 22 |
| Complexity | 889.5896 |
Chemical Identifiers
| CAS Number | 117145-51-4 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=O)O2 |
Product Overview
6-bromo-2-(4-tert-butylphenyl)-4H-3,1-benzoxazin-4-one (CAS 117145-51-4), with molecular formula C18H16BrNO2 and molecular weight 357.04 g/mol. IUPAC: 6-bromo-2-(4-tert-butylphenyl)-3,1-benzoxazin-4-one.
Chemical Property Profile of 6-bromo-2-(4-tert-butylphenyl)-4H-3,1-benzoxazin-4-one
Property Insights of 6-bromo-2-(4-tert-butylphenyl)-4H-3,1-benzoxazin-4-one
The XLogP value of 4.915 indicates that 6-bromo-2-(4-tert-butylphenyl)-4H-3,1-benzoxazin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.1 Ų, 6-bromo-2-(4-tert-butylphenyl)-4H-3,1-benzoxazin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-bromo-2-(4-tert-butylphenyl)-4H-3,1-benzoxazin-4-one has 0 hydrogen bond donor(s) and 3 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 6-bromo-2-(4-tert-butylphenyl)-4H-3,1-benzoxazin-4-one?
The CAS number of 6-bromo-2-(4-tert-butylphenyl)-4H-3,1-benzoxazin-4-one is 117145-51-4.
What is the molecular formula of 6-bromo-2-(4-tert-butylphenyl)-4H-3,1-benzoxazin-4-one?
The molecular formula of 6-bromo-2-(4-tert-butylphenyl)-4H-3,1-benzoxazin-4-one is C18H16BrNO2.
What is the molecular weight of 6-bromo-2-(4-tert-butylphenyl)-4H-3,1-benzoxazin-4-one?
The molecular weight of 6-bromo-2-(4-tert-butylphenyl)-4H-3,1-benzoxazin-4-one is 357.04 g/mol.
Where can I buy 6-bromo-2-(4-tert-butylphenyl)-4H-3,1-benzoxazin-4-one?
You can request a quote for 6-bromo-2-(4-tert-butylphenyl)-4H-3,1-benzoxazin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-bromo-2-(4-tert-butylphenyl)-4H-3,1-benzoxazin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 6-bromo-2-(4-tert-butylphenyl)-4H-3,1-benzoxazin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.