7-Bromo-4-diazonio-2,1,3-benzoxadiazol-5-olate
TL;DR: 7-Bromo-4-diazonio-2,1,3-benzoxadiazol-5-olate (CAS 304879-17-2) is a chemical compound with molecular formula C6HBrN4O2 and molecular weight 239.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-bromo-4-diazonio-2,1,3-benzoxadiazol-5-olate
Also Known As: C6HBrN4O2, 7-bromo-4-diazonio-2,1,3-benzoxadiazol-5-olate, 7-bromo-4-diazo-2,1,3-benzoxadiazol-5(4H)-one, 7-bromo-4-diazobenzo[c][1,2,5]oxadiazol-5(4H)-one, 7-bromo-4-(??-diazynylidene)-4,5-dihydro-2,1,3-benzoxadiazol-5-one
| Molecular Formula | C6HBrN4O2 |
|---|---|
| Molecular Weight | 239.93 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 90.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 239.92828 |
| Heavy Atoms | 13 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 304879-17-2 |
|---|---|
| SMILES | C1=C(C2=NON=C2C(=C1[O-])[N+]#N)Br |
| InChIKey | CGUPZSBSJPZKTJ-UHFFFAOYSA-N |
Product Overview
7-Bromo-4-diazonio-2,1,3-benzoxadiazol-5-olate (CAS 304879-17-2), with molecular formula C6HBrN4O2 and molecular weight 239.93 g/mol. IUPAC: 7-bromo-4-diazonio-2,1,3-benzoxadiazol-5-olate.
Chemical Property Profile of 7-Bromo-4-diazonio-2,1,3-benzoxadiazol-5-olate
Property Insights of 7-Bromo-4-diazonio-2,1,3-benzoxadiazol-5-olate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Bromo-4-diazonio-2,1,3-benzoxadiazol-5-olate. The TPSA of 90.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Bromo-4-diazonio-2,1,3-benzoxadiazol-5-olate. Following Lipinski's Rule of Five, 7-Bromo-4-diazonio-2,1,3-benzoxadiazol-5-olate has 0 hydrogen bond donor(s) and 5 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 7-Bromo-4-diazonio-2,1,3-benzoxadiazol-5-olate?
The CAS number of 7-Bromo-4-diazonio-2,1,3-benzoxadiazol-5-olate is 304879-17-2.
What is the molecular formula of 7-Bromo-4-diazonio-2,1,3-benzoxadiazol-5-olate?
The molecular formula of 7-Bromo-4-diazonio-2,1,3-benzoxadiazol-5-olate is C6HBrN4O2.
What is the molecular weight of 7-Bromo-4-diazonio-2,1,3-benzoxadiazol-5-olate?
The molecular weight of 7-Bromo-4-diazonio-2,1,3-benzoxadiazol-5-olate is 239.93 g/mol.
Where can I buy 7-Bromo-4-diazonio-2,1,3-benzoxadiazol-5-olate?
You can request a quote for 7-Bromo-4-diazonio-2,1,3-benzoxadiazol-5-olate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Bromo-4-diazonio-2,1,3-benzoxadiazol-5-olate?
Yes, KEHONG BIO provides custom synthesis services for 7-Bromo-4-diazonio-2,1,3-benzoxadiazol-5-olate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.