![3-Bromo-5-oxido-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium structure](/static/products/161/161464-29-5.png)
3-Bromo-5-oxido-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium
TL;DR: 3-Bromo-5-oxido-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium (CAS 161464-29-5) is a chemical compound with molecular formula C9H5BrN4O and molecular weight 263.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-5-oxidopyrazolo[5,1-c][1,2,4]benzotriazin-5-ium
Also Known As: 3-bromopyrazolo[5,1-c][1,2,4]benzotriazine 5-oxide, 3-Bromo-pyrazolo[5,1-c][1,2,4] benzotriazine 5-oxide, 3-bromo-5-oxidopyrazolo[5,1-c][1,2,4]benzotriazin-5-ium, 3-bromo-5-oxido-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium, 5-bromo-2,3,7,8-tetraazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaen-8-ium-8-olate
| Molecular Formula | C9H5BrN4O |
|---|---|
| Molecular Weight | 263.96 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 55.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 263.96466 |
| Heavy Atoms | 15 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 161464-29-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N3C(=C(C=N3)Br)N=[N+]2[O-] |
| InChIKey | IOWQXXXGIQMCMD-UHFFFAOYSA-N |
Product Overview
3-Bromo-5-oxido-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium (CAS 161464-29-5), with molecular formula C9H5BrN4O and molecular weight 263.96 g/mol. IUPAC: 3-bromo-5-oxidopyrazolo[5,1-c][1,2,4]benzotriazin-5-ium.
Chemical Property Profile of 3-Bromo-5-oxido-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium
Property Insights of 3-Bromo-5-oxido-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-5-oxido-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium. With a topological polar surface area (TPSA) of 55.7 Ų, 3-Bromo-5-oxido-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-5-oxido-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium 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 3-Bromo-5-oxido-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium?
The CAS number of 3-Bromo-5-oxido-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium is 161464-29-5.
What is the molecular formula of 3-Bromo-5-oxido-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium?
The molecular formula of 3-Bromo-5-oxido-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium is C9H5BrN4O.
What is the molecular weight of 3-Bromo-5-oxido-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium?
The molecular weight of 3-Bromo-5-oxido-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium is 263.96 g/mol.
Where can I buy 3-Bromo-5-oxido-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium?
You can request a quote for 3-Bromo-5-oxido-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-5-oxido-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-5-oxido-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.