5-bromo-3H-2,1,3-benzoxadiazol-1-ium 1-oxide
TL;DR: 5-bromo-3H-2,1,3-benzoxadiazol-1-ium 1-oxide (CAS 7236-15-9) is a chemical compound with molecular formula C6H4BrN2O2+ and molecular weight 214.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-3H-2,1,3-benzoxadiazol-1-ium 1-oxide
Also Known As: 5-bromo-3H-2,1,3-benzoxadiazol-1-ium 1-oxide, 5-Bromo-1-oxo-1,3-dihydro-2,1,3-benzoxadiazol-1-ium, 3-bromo-8-oxa-9-aza-7-azoniabicyclo[4.3.0]nona-2,4,10-triene 7-oxide
| Molecular Formula | C6H4BrN2O2+ |
|---|---|
| Molecular Weight | 214.95 g/mol |
| LogP | 1.4379 |
| Topological Polar Surface Area | 51.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 214.9456 |
| Heavy Atoms | 11 |
| Complexity | 445.02417 |
Chemical Identifiers
| CAS Number | 7236-15-9 |
|---|---|
| SMILES | C1=CC2=C(C=C1Br)NO[N+]2=O |
Product Overview
5-bromo-3H-2,1,3-benzoxadiazol-1-ium 1-oxide (CAS 7236-15-9), with molecular formula C6H4BrN2O2+ and molecular weight 214.95 g/mol. IUPAC: 5-bromo-3H-2,1,3-benzoxadiazol-1-ium 1-oxide.
Chemical Property Profile of 5-bromo-3H-2,1,3-benzoxadiazol-1-ium 1-oxide
Property Insights of 5-bromo-3H-2,1,3-benzoxadiazol-1-ium 1-oxide
The XLogP value of 1.4379 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-bromo-3H-2,1,3-benzoxadiazol-1-ium 1-oxide. With a topological polar surface area (TPSA) of 51.9 Ų, 5-bromo-3H-2,1,3-benzoxadiazol-1-ium 1-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-bromo-3H-2,1,3-benzoxadiazol-1-ium 1-oxide has 1 hydrogen bond donor(s) and 2 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 5-bromo-3H-2,1,3-benzoxadiazol-1-ium 1-oxide?
The CAS number of 5-bromo-3H-2,1,3-benzoxadiazol-1-ium 1-oxide is 7236-15-9.
What is the molecular formula of 5-bromo-3H-2,1,3-benzoxadiazol-1-ium 1-oxide?
The molecular formula of 5-bromo-3H-2,1,3-benzoxadiazol-1-ium 1-oxide is C6H4BrN2O2+.
What is the molecular weight of 5-bromo-3H-2,1,3-benzoxadiazol-1-ium 1-oxide?
The molecular weight of 5-bromo-3H-2,1,3-benzoxadiazol-1-ium 1-oxide is 214.95 g/mol.
Where can I buy 5-bromo-3H-2,1,3-benzoxadiazol-1-ium 1-oxide?
You can request a quote for 5-bromo-3H-2,1,3-benzoxadiazol-1-ium 1-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-bromo-3H-2,1,3-benzoxadiazol-1-ium 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for 5-bromo-3H-2,1,3-benzoxadiazol-1-ium 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.