8-bromo-2,6-dimethyl-4H-3,1-benzoxazin-4-one
TL;DR: 8-bromo-2,6-dimethyl-4H-3,1-benzoxazin-4-one (CAS 866151-05-5) is a chemical compound with molecular formula C10H8BrNO2 and molecular weight 252.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-bromo-2,6-dimethyl-3,1-benzoxazin-4-one
Also Known As: 8-bromo-2,6-dimethyl-4H-3,1-benzoxazin-4-one, 8-bromo-2,6-dimethyl-3,1-benzoxazin-4-one, 8-bromo-2,6-dimethyl-4H-benzo[d][1,3]oxazin-4-one, 8-Bromo-2,6-dimethyl-4H-benzod1,3oxazin-4-one
| Molecular Formula | C10H8BrNO2 |
|---|---|
| Molecular Weight | 252.97 g/mol |
| LogP | 2.56734 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 252.97385 |
| Heavy Atoms | 14 |
| Complexity | 559.78595 |
Chemical Identifiers
| CAS Number | 866151-05-5 |
|---|---|
| SMILES | CC1=CC2=C(C(=C1)Br)N=C(OC2=O)C |
Product Overview
8-bromo-2,6-dimethyl-4H-3,1-benzoxazin-4-one (CAS 866151-05-5), with molecular formula C10H8BrNO2 and molecular weight 252.97 g/mol. IUPAC: 8-bromo-2,6-dimethyl-3,1-benzoxazin-4-one.
Chemical Property Profile of 8-bromo-2,6-dimethyl-4H-3,1-benzoxazin-4-one
Property Insights of 8-bromo-2,6-dimethyl-4H-3,1-benzoxazin-4-one
The XLogP value of 2.56734 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-bromo-2,6-dimethyl-4H-3,1-benzoxazin-4-one. With a topological polar surface area (TPSA) of 43.1 Ų, 8-bromo-2,6-dimethyl-4H-3,1-benzoxazin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-bromo-2,6-dimethyl-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 8-bromo-2,6-dimethyl-4H-3,1-benzoxazin-4-one?
The CAS number of 8-bromo-2,6-dimethyl-4H-3,1-benzoxazin-4-one is 866151-05-5.
What is the molecular formula of 8-bromo-2,6-dimethyl-4H-3,1-benzoxazin-4-one?
The molecular formula of 8-bromo-2,6-dimethyl-4H-3,1-benzoxazin-4-one is C10H8BrNO2.
What is the molecular weight of 8-bromo-2,6-dimethyl-4H-3,1-benzoxazin-4-one?
The molecular weight of 8-bromo-2,6-dimethyl-4H-3,1-benzoxazin-4-one is 252.97 g/mol.
Where can I buy 8-bromo-2,6-dimethyl-4H-3,1-benzoxazin-4-one?
You can request a quote for 8-bromo-2,6-dimethyl-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 8-bromo-2,6-dimethyl-4H-3,1-benzoxazin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 8-bromo-2,6-dimethyl-4H-3,1-benzoxazin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.