2-Bromo-3-fluoroiodobenzene
TL;DR: 2-Bromo-3-fluoroiodobenzene (CAS 85137-46-8) is a chemical compound with molecular formula C15H15N3O2 and molecular weight 269.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(1S,6R)-5-oxo-3,4-diazabicyclo[4.2.0]oct-2-en-2-yl]-3,4-dihydro-1H-quinolin-2-one
Also Known As: 2-Bromo-3-fluoroiodobenzene, 2-(1,2,3,4-Tetrahydroquinolin-2-on-6-yl)-3,4-diazabicyclo(4.2.0)oct-2-en-5-one, 3,4-Diazabicyclo(4.2.0)oct-4-en-2-one, 5-(1,2,3,4-tetrahydro-2-oxo-6-quinolinyl)-, 5-(1,2,3,4-Tetrahydro-2-oxo-6-quinolinyl)-3,4-diazabicyclo(4.2.0)oct-4-en-2-one, 6-(5-Hydroxy-3,4-diazabicyclo[4.2.0]octa-2,4-dien-2-yl)-3,4-dihydroquinolin-2(1H)-one
| Molecular Formula | C15H15N3O2 |
|---|---|
| Molecular Weight | 269.12 g/mol |
| LogP | 1.4314 |
| Topological Polar Surface Area | 70.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 269.11642 |
| Heavy Atoms | 20 |
| Complexity | 650.51874 |
Chemical Identifiers
| CAS Number | 85137-46-8 |
|---|---|
| SMILES | C1C[C@@H]2[C@H]1C(=NNC2=O)C3=CC4=C(C=C3)NC(=O)CC4 |
Product Overview
2-Bromo-3-fluoroiodobenzene (CAS 85137-46-8), with molecular formula C15H15N3O2 and molecular weight 269.12 g/mol. IUPAC: 6-[(1S,6R)-5-oxo-3,4-diazabicyclo[4.2.0]oct-2-en-2-yl]-3,4-dihydro-1H-quinolin-2-one.
Chemical Property Profile of 2-Bromo-3-fluoroiodobenzene
Property Insights of 2-Bromo-3-fluoroiodobenzene
The XLogP value of 1.4314 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromo-3-fluoroiodobenzene. The TPSA of 70.56 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Bromo-3-fluoroiodobenzene. Following Lipinski's Rule of Five, 2-Bromo-3-fluoroiodobenzene has 2 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 2-Bromo-3-fluoroiodobenzene?
The CAS number of 2-Bromo-3-fluoroiodobenzene is 85137-46-8.
What is the molecular formula of 2-Bromo-3-fluoroiodobenzene?
The molecular formula of 2-Bromo-3-fluoroiodobenzene is C15H15N3O2.
What is the molecular weight of 2-Bromo-3-fluoroiodobenzene?
The molecular weight of 2-Bromo-3-fluoroiodobenzene is 269.12 g/mol.
Where can I buy 2-Bromo-3-fluoroiodobenzene?
You can request a quote for 2-Bromo-3-fluoroiodobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-3-fluoroiodobenzene?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-3-fluoroiodobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.