3,5-dibromo-6,7-dihydro-1,2-benzisoxazol-4-(5H)-one
TL;DR: 3,5-dibromo-6,7-dihydro-1,2-benzisoxazol-4-(5H)-one (CAS 139163-12-5) is a chemical compound with molecular formula C7H5Br2NO2 and molecular weight 292.8687 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,5-dibromo-6,7-dihydro-5H-1,2-benzoxazol-4-one
Also Known As: 3,5-Dhbao, 3,5-Dibromo-6,7-dihydro-1,2-benzisoxazol-4-(5H)-one, 3,5-dibromo-6,7-dihydro-5H-1,2-benzoxazol-4-one, 3,5-Dibromo-6,7-dihydro-1,2-benzisoxazol-4- -one, 3,5-Dibromo-6,7-dihydro-1,2-benzoxazol-4(5H)-one
Technical Specifications
| Molecular Formula | C7H5Br2NO2 |
| Molecular Weight | 292.8687 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 43.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 292.8687 Da |
| Heavy Atoms | 12 |
| Complexity | 212.0 |
| SMILES | C1CC2=C(C(=O)C1Br)C(=NO2)Br |
| InChIKey | QMGAVAMITASBBR-UHFFFAOYSA-N |
Chemical Property Profile of 3,5-dibromo-6,7-dihydro-1,2-benzisoxazol-4-(5H)-one
Property Insights of 3,5-dibromo-6,7-dihydro-1,2-benzisoxazol-4-(5H)-one
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-dibromo-6,7-dihydro-1,2-benzisoxazol-4-(5H)-one. With a topological polar surface area (TPSA) of 43.1 Ų, 3,5-dibromo-6,7-dihydro-1,2-benzisoxazol-4-(5H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-dibromo-6,7-dihydro-1,2-benzisoxazol-4-(5H)-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
What is the CAS number of 3,5-dibromo-6,7-dihydro-1,2-benzisoxazol-4-(5H)-one?
The CAS number of 3,5-dibromo-6,7-dihydro-1,2-benzisoxazol-4-(5H)-one is 139163-12-5.
What is the molecular formula of 3,5-dibromo-6,7-dihydro-1,2-benzisoxazol-4-(5H)-one?
The molecular formula of 3,5-dibromo-6,7-dihydro-1,2-benzisoxazol-4-(5H)-one is C7H5Br2NO2.
What is the molecular weight of 3,5-dibromo-6,7-dihydro-1,2-benzisoxazol-4-(5H)-one?
The molecular weight of 3,5-dibromo-6,7-dihydro-1,2-benzisoxazol-4-(5H)-one is 292.8687 g/mol.
Where can I buy 3,5-dibromo-6,7-dihydro-1,2-benzisoxazol-4-(5H)-one?
You can request a quote for 3,5-dibromo-6,7-dihydro-1,2-benzisoxazol-4-(5H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,5-dibromo-6,7-dihydro-1,2-benzisoxazol-4-(5H)-one?
Yes, CoreyChem provides custom synthesis services for 3,5-dibromo-6,7-dihydro-1,2-benzisoxazol-4-(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.