2-(3-Bromophenyl)-6,7-dimethoxy-4H-3,1-benzoxazin-4-one
TL;DR: 2-(3-Bromophenyl)-6,7-dimethoxy-4H-3,1-benzoxazin-4-one (CAS 294892-09-4) is a chemical compound with molecular formula C16H12BrNO4 and molecular weight 360.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-bromophenyl)-6,7-dimethoxy-3,1-benzoxazin-4-one
Also Known As: 2-(3-Bromophenyl)-6,7-dimethoxy-4H-3,1-benzoxazin-4-one, BAS 01520069, BIM-0004184.P001, 2-(3-bromophenyl)-6,7-dimethoxy-3,1-benzoxazin-4-one, AN-979/13513025
| Molecular Formula | C16H12BrNO4 |
|---|---|
| Molecular Weight | 360.99 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 57.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 360.99496 |
| Heavy Atoms | 22 |
| Complexity | 455.0 |
Chemical Identifiers
| CAS Number | 294892-09-4 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C(=O)OC(=N2)C3=CC(=CC=C3)Br)OC |
| InChIKey | DAXBYPGHFZNXQI-UHFFFAOYSA-N |
Product Overview
2-(3-Bromophenyl)-6,7-dimethoxy-4H-3,1-benzoxazin-4-one (CAS 294892-09-4), with molecular formula C16H12BrNO4 and molecular weight 360.99 g/mol. IUPAC: 2-(3-bromophenyl)-6,7-dimethoxy-3,1-benzoxazin-4-one.
Chemical Property Profile of 2-(3-Bromophenyl)-6,7-dimethoxy-4H-3,1-benzoxazin-4-one
Property Insights of 2-(3-Bromophenyl)-6,7-dimethoxy-4H-3,1-benzoxazin-4-one
The XLogP value of 3.6 indicates that 2-(3-Bromophenyl)-6,7-dimethoxy-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 57.1 Ų, 2-(3-Bromophenyl)-6,7-dimethoxy-4H-3,1-benzoxazin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-Bromophenyl)-6,7-dimethoxy-4H-3,1-benzoxazin-4-one has 0 hydrogen bond donor(s) and 5 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-(3-Bromophenyl)-6,7-dimethoxy-4H-3,1-benzoxazin-4-one?
The CAS number of 2-(3-Bromophenyl)-6,7-dimethoxy-4H-3,1-benzoxazin-4-one is 294892-09-4.
What is the molecular formula of 2-(3-Bromophenyl)-6,7-dimethoxy-4H-3,1-benzoxazin-4-one?
The molecular formula of 2-(3-Bromophenyl)-6,7-dimethoxy-4H-3,1-benzoxazin-4-one is C16H12BrNO4.
What is the molecular weight of 2-(3-Bromophenyl)-6,7-dimethoxy-4H-3,1-benzoxazin-4-one?
The molecular weight of 2-(3-Bromophenyl)-6,7-dimethoxy-4H-3,1-benzoxazin-4-one is 360.99 g/mol.
Where can I buy 2-(3-Bromophenyl)-6,7-dimethoxy-4H-3,1-benzoxazin-4-one?
You can request a quote for 2-(3-Bromophenyl)-6,7-dimethoxy-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 2-(3-Bromophenyl)-6,7-dimethoxy-4H-3,1-benzoxazin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Bromophenyl)-6,7-dimethoxy-4H-3,1-benzoxazin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.