4H-3,1-Benzoxazin-4-one, 6,8-dibromo-2-ethyl-
TL;DR: 4H-3,1-Benzoxazin-4-one, 6,8-dibromo-2-ethyl- (CAS 68100-93-6) is a chemical compound with molecular formula C10H7Br2NO2 and molecular weight 330.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,8-dibromo-2-ethyl-3,1-benzoxazin-4-one
Also Known As: 6,8-dibromo-2-ethyl-3,1-benzoxazin-4-one, 4H-3,1-Benzoxazin-4-one, 6,8-dibromo-2-ethyl-, 6,8-dibromo-2-ethyl-4H-3,1-benzoxazin-4-one, 4H-3,1-Benzoxazin-4-one,6,8-dibromo-2-ethyl, 7,9-dibromo-4-ethyl-3-oxa-5-azabicyclo[4.4.0]deca-4,7,9,11-tetraen-2-one
| Molecular Formula | C10H7Br2NO2 |
|---|---|
| Molecular Weight | 330.88 g/mol |
| LogP | 3.2754 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 330.88434 |
| Heavy Atoms | 15 |
| Complexity | 577.37946 |
Chemical Identifiers
| CAS Number | 68100-93-6 |
|---|---|
| SMILES | CCC1=NC2=C(C=C(C=C2Br)Br)C(=O)O1 |
Product Overview
4H-3,1-Benzoxazin-4-one, 6,8-dibromo-2-ethyl- (CAS 68100-93-6), with molecular formula C10H7Br2NO2 and molecular weight 330.88 g/mol. IUPAC: 6,8-dibromo-2-ethyl-3,1-benzoxazin-4-one.
Chemical Property Profile of 4H-3,1-Benzoxazin-4-one, 6,8-dibromo-2-ethyl-
Property Insights of 4H-3,1-Benzoxazin-4-one, 6,8-dibromo-2-ethyl-
The XLogP value of 3.2754 indicates that 4H-3,1-Benzoxazin-4-one, 6,8-dibromo-2-ethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.1 Ų, 4H-3,1-Benzoxazin-4-one, 6,8-dibromo-2-ethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-3,1-Benzoxazin-4-one, 6,8-dibromo-2-ethyl- 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 4H-3,1-Benzoxazin-4-one, 6,8-dibromo-2-ethyl-?
The CAS number of 4H-3,1-Benzoxazin-4-one, 6,8-dibromo-2-ethyl- is 68100-93-6.
What is the molecular formula of 4H-3,1-Benzoxazin-4-one, 6,8-dibromo-2-ethyl-?
The molecular formula of 4H-3,1-Benzoxazin-4-one, 6,8-dibromo-2-ethyl- is C10H7Br2NO2.
What is the molecular weight of 4H-3,1-Benzoxazin-4-one, 6,8-dibromo-2-ethyl-?
The molecular weight of 4H-3,1-Benzoxazin-4-one, 6,8-dibromo-2-ethyl- is 330.88 g/mol.
Where can I buy 4H-3,1-Benzoxazin-4-one, 6,8-dibromo-2-ethyl-?
You can request a quote for 4H-3,1-Benzoxazin-4-one, 6,8-dibromo-2-ethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-3,1-Benzoxazin-4-one, 6,8-dibromo-2-ethyl-?
Yes, KEHONG BIO provides custom synthesis services for 4H-3,1-Benzoxazin-4-one, 6,8-dibromo-2-ethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.