6-Bromo-2-(3-ethoxyphenyl)-3,1-benzoxazin-4-one
TL;DR: 6-Bromo-2-(3-ethoxyphenyl)-3,1-benzoxazin-4-one (CAS 333439-00-2) is a chemical compound with molecular formula C16H12BrNO3 and molecular weight 345.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-bromo-2-(3-ethoxyphenyl)-3,1-benzoxazin-4-one
Also Known As: 6-bromo-2-(3-ethoxyphenyl)-3,1-benzoxazin-4-one, AB00102458-01, 6-bromo-2-(3-ethoxyphenyl)-4H-3,1-benzoxazin-4-one, 6-bromo-2-(3-ethoxyphenyl)-4H-benzo[d][1,3]oxazin-4-one
| Molecular Formula | C16H12BrNO3 |
|---|---|
| Molecular Weight | 345.00 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 47.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 345.00006 |
| Heavy Atoms | 21 |
| Complexity | 426.0 |
Chemical Identifiers
| CAS Number | 333439-00-2 |
|---|---|
| SMILES | CCOC1=CC=CC(=C1)C2=NC3=C(C=C(C=C3)Br)C(=O)O2 |
| InChIKey | XBMZANWFYVNVOV-UHFFFAOYSA-N |
Product Overview
6-Bromo-2-(3-ethoxyphenyl)-3,1-benzoxazin-4-one (CAS 333439-00-2), with molecular formula C16H12BrNO3 and molecular weight 345.00 g/mol. IUPAC: 6-bromo-2-(3-ethoxyphenyl)-3,1-benzoxazin-4-one.
Chemical Property Profile of 6-Bromo-2-(3-ethoxyphenyl)-3,1-benzoxazin-4-one
Property Insights of 6-Bromo-2-(3-ethoxyphenyl)-3,1-benzoxazin-4-one
The XLogP value of 4.0 indicates that 6-Bromo-2-(3-ethoxyphenyl)-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 47.9 Ų, 6-Bromo-2-(3-ethoxyphenyl)-3,1-benzoxazin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Bromo-2-(3-ethoxyphenyl)-3,1-benzoxazin-4-one has 0 hydrogen bond donor(s) and 4 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-(3-ethoxyphenyl)-3,1-benzoxazin-4-one?
The CAS number of 6-Bromo-2-(3-ethoxyphenyl)-3,1-benzoxazin-4-one is 333439-00-2.
What is the molecular formula of 6-Bromo-2-(3-ethoxyphenyl)-3,1-benzoxazin-4-one?
The molecular formula of 6-Bromo-2-(3-ethoxyphenyl)-3,1-benzoxazin-4-one is C16H12BrNO3.
What is the molecular weight of 6-Bromo-2-(3-ethoxyphenyl)-3,1-benzoxazin-4-one?
The molecular weight of 6-Bromo-2-(3-ethoxyphenyl)-3,1-benzoxazin-4-one is 345.00 g/mol.
Where can I buy 6-Bromo-2-(3-ethoxyphenyl)-3,1-benzoxazin-4-one?
You can request a quote for 6-Bromo-2-(3-ethoxyphenyl)-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-(3-ethoxyphenyl)-3,1-benzoxazin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 6-Bromo-2-(3-ethoxyphenyl)-3,1-benzoxazin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.