![6-Bromobenzo[c][1,2,5]oxadiazole 1-oxide structure](/static/products/413/41377-59-7.png)
6-Bromobenzo[c][1,2,5]oxadiazole 1-oxide
TL;DR: 6-Bromobenzo[c][1,2,5]oxadiazole 1-oxide (CAS 41377-59-7) is a chemical compound with molecular formula C6H3BrN2O2 and molecular weight 213.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-3-oxido-2,1,3-benzoxadiazol-3-ium
Also Known As: 6-Bromobenzo[c][1,2,5]oxadiazole 1-oxide, 6-bromo-2,1,3-benzoxadiazole 1-oxide, 6-Bromobenzo[c][1,2,5]oxadiazole1-oxide, 5644AB, 5-bromo-3-oxido-2,1,3-benzoxadiazol-3-ium
| Molecular Formula | C6H3BrN2O2 |
|---|---|
| Molecular Weight | 213.94 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 51.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 213.93779 |
| Heavy Atoms | 11 |
| Complexity | 158.0 |
Chemical Identifiers
| CAS Number | 41377-59-7 |
|---|---|
| SMILES | C1=CC2=NO[N+](=C2C=C1Br)[O-] |
| InChIKey | BAIKAFHUTPGNTK-UHFFFAOYSA-N |
Product Overview
6-Bromobenzo[c][1,2,5]oxadiazole 1-oxide (CAS 41377-59-7), with molecular formula C6H3BrN2O2 and molecular weight 213.94 g/mol. IUPAC: 5-bromo-3-oxido-2,1,3-benzoxadiazol-3-ium.
Chemical Property Profile of 6-Bromobenzo[c][1,2,5]oxadiazole 1-oxide
Property Insights of 6-Bromobenzo[c][1,2,5]oxadiazole 1-oxide
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Bromobenzo[c][1,2,5]oxadiazole 1-oxide. With a topological polar surface area (TPSA) of 51.5 Ų, 6-Bromobenzo[c][1,2,5]oxadiazole 1-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Bromobenzo[c][1,2,5]oxadiazole 1-oxide 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 6-Bromobenzo[c][1,2,5]oxadiazole 1-oxide?
The CAS number of 6-Bromobenzo[c][1,2,5]oxadiazole 1-oxide is 41377-59-7.
What is the molecular formula of 6-Bromobenzo[c][1,2,5]oxadiazole 1-oxide?
The molecular formula of 6-Bromobenzo[c][1,2,5]oxadiazole 1-oxide is C6H3BrN2O2.
What is the molecular weight of 6-Bromobenzo[c][1,2,5]oxadiazole 1-oxide?
The molecular weight of 6-Bromobenzo[c][1,2,5]oxadiazole 1-oxide is 213.94 g/mol.
Where can I buy 6-Bromobenzo[c][1,2,5]oxadiazole 1-oxide?
You can request a quote for 6-Bromobenzo[c][1,2,5]oxadiazole 1-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Bromobenzo[c][1,2,5]oxadiazole 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for 6-Bromobenzo[c][1,2,5]oxadiazole 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.