2-(4-bromophenyl)-3-(4-methylbenzoyl)-2H-1,3-benzoxazin-4-one
TL;DR: 2-(4-bromophenyl)-3-(4-methylbenzoyl)-2H-1,3-benzoxazin-4-one (CAS 330561-24-5) is a chemical compound with molecular formula C22H16BrNO3 and molecular weight 421.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromophenyl)-3-(4-methylbenzoyl)-2H-1,3-benzoxazin-4-one
Also Known As: 2-(4-bromophenyl)-3-(4-methylbenzoyl)-2H-1,3-benzoxazin-4-one, 2-(4-bromophenyl)-3-[(4-methylphenyl)carbonyl]-2,3-dihydro-4H-1,3-benzoxazin-4-one, 2-(4-bromophenyl)-3-(4-methylbenzoyl)-2H-benzo[e][1,3]oxazin-4(3H)-one, 8-(4-bromophenyl)-9-(4-methylbenzoyl)-7-oxa-9-azabicyclo[4.4.0]deca-1,3,5-trien-10-one
| Molecular Formula | C22H16BrNO3 |
|---|---|
| Molecular Weight | 421.03 g/mol |
| LogP | 5.13132 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 421.03137 |
| Heavy Atoms | 27 |
| Complexity | 1012.4877 |
Chemical Identifiers
| CAS Number | 330561-24-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)N2C(OC3=CC=CC=C3C2=O)C4=CC=C(C=C4)Br |
Product Overview
2-(4-bromophenyl)-3-(4-methylbenzoyl)-2H-1,3-benzoxazin-4-one (CAS 330561-24-5), with molecular formula C22H16BrNO3 and molecular weight 421.03 g/mol. IUPAC: 2-(4-bromophenyl)-3-(4-methylbenzoyl)-2H-1,3-benzoxazin-4-one.
Chemical Property Profile of 2-(4-bromophenyl)-3-(4-methylbenzoyl)-2H-1,3-benzoxazin-4-one
Property Insights of 2-(4-bromophenyl)-3-(4-methylbenzoyl)-2H-1,3-benzoxazin-4-one
The XLogP value of 5.13132 indicates that 2-(4-bromophenyl)-3-(4-methylbenzoyl)-2H-1,3-benzoxazin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.61 Ų, 2-(4-bromophenyl)-3-(4-methylbenzoyl)-2H-1,3-benzoxazin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-bromophenyl)-3-(4-methylbenzoyl)-2H-1,3-benzoxazin-4-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(4-bromophenyl)-3-(4-methylbenzoyl)-2H-1,3-benzoxazin-4-one?
The CAS number of 2-(4-bromophenyl)-3-(4-methylbenzoyl)-2H-1,3-benzoxazin-4-one is 330561-24-5.
What is the molecular formula of 2-(4-bromophenyl)-3-(4-methylbenzoyl)-2H-1,3-benzoxazin-4-one?
The molecular formula of 2-(4-bromophenyl)-3-(4-methylbenzoyl)-2H-1,3-benzoxazin-4-one is C22H16BrNO3.
What is the molecular weight of 2-(4-bromophenyl)-3-(4-methylbenzoyl)-2H-1,3-benzoxazin-4-one?
The molecular weight of 2-(4-bromophenyl)-3-(4-methylbenzoyl)-2H-1,3-benzoxazin-4-one is 421.03 g/mol.
Where can I buy 2-(4-bromophenyl)-3-(4-methylbenzoyl)-2H-1,3-benzoxazin-4-one?
You can request a quote for 2-(4-bromophenyl)-3-(4-methylbenzoyl)-2H-1,3-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 2-(4-bromophenyl)-3-(4-methylbenzoyl)-2H-1,3-benzoxazin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-bromophenyl)-3-(4-methylbenzoyl)-2H-1,3-benzoxazin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.