![6-bromo-2-(prop-1-en-2-yl)-4H-benzo[d][1,3]oxazin-4-one structure](/static/products/404/404847-51-4.png)
6-bromo-2-(prop-1-en-2-yl)-4H-benzo[d][1,3]oxazin-4-one
TL;DR: 6-bromo-2-(prop-1-en-2-yl)-4H-benzo[d][1,3]oxazin-4-one (CAS 404847-51-4) is a chemical compound with molecular formula C11H8BrNO2 and molecular weight 264.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-bromo-2-prop-1-en-2-yl-3,1-benzoxazin-4-one
Also Known As: 6-bromo-2-prop-1-en-2-yl-3,1-benzoxazin-4-one, 6-bromo-2-(prop-1-en-2-yl)-4H-benzo[d][1,3]oxazin-4-one
| Molecular Formula | C11H8BrNO2 |
|---|---|
| Molecular Weight | 264.97 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 264.97385 |
| Heavy Atoms | 15 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 404847-51-4 |
|---|---|
| SMILES | CC(=C)C1=NC2=C(C=C(C=C2)Br)C(=O)O1 |
| InChIKey | VRDURIBNCWHXRW-UHFFFAOYSA-N |
Product Overview
6-bromo-2-(prop-1-en-2-yl)-4H-benzo[d][1,3]oxazin-4-one (CAS 404847-51-4), with molecular formula C11H8BrNO2 and molecular weight 264.97 g/mol. IUPAC: 6-bromo-2-prop-1-en-2-yl-3,1-benzoxazin-4-one.
Chemical Property Profile of 6-bromo-2-(prop-1-en-2-yl)-4H-benzo[d][1,3]oxazin-4-one
Property Insights of 6-bromo-2-(prop-1-en-2-yl)-4H-benzo[d][1,3]oxazin-4-one
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-bromo-2-(prop-1-en-2-yl)-4H-benzo[d][1,3]oxazin-4-one. With a topological polar surface area (TPSA) of 38.7 Ų, 6-bromo-2-(prop-1-en-2-yl)-4H-benzo[d][1,3]oxazin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-bromo-2-(prop-1-en-2-yl)-4H-benzo[d][1,3]oxazin-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-(prop-1-en-2-yl)-4H-benzo[d][1,3]oxazin-4-one?
The CAS number of 6-bromo-2-(prop-1-en-2-yl)-4H-benzo[d][1,3]oxazin-4-one is 404847-51-4.
What is the molecular formula of 6-bromo-2-(prop-1-en-2-yl)-4H-benzo[d][1,3]oxazin-4-one?
The molecular formula of 6-bromo-2-(prop-1-en-2-yl)-4H-benzo[d][1,3]oxazin-4-one is C11H8BrNO2.
What is the molecular weight of 6-bromo-2-(prop-1-en-2-yl)-4H-benzo[d][1,3]oxazin-4-one?
The molecular weight of 6-bromo-2-(prop-1-en-2-yl)-4H-benzo[d][1,3]oxazin-4-one is 264.97 g/mol.
Where can I buy 6-bromo-2-(prop-1-en-2-yl)-4H-benzo[d][1,3]oxazin-4-one?
You can request a quote for 6-bromo-2-(prop-1-en-2-yl)-4H-benzo[d][1,3]oxazin-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-(prop-1-en-2-yl)-4H-benzo[d][1,3]oxazin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 6-bromo-2-(prop-1-en-2-yl)-4H-benzo[d][1,3]oxazin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.