![吡唑并[5,1-c][1,2,4]苯并三嗪5-氧化物 structure](/static/products/161/161464-42-2.png)
吡唑并[5,1-c][1,2,4]苯并三嗪5-氧化物
TL;DR: 吡唑并[5,1-c][1,2,4]苯并三嗪5-氧化物 (CAS 161464-42-2) is a chemical compound with molecular formula C9H6N4O and molecular weight 186.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
吡唑并[5,1-c][1,2,4]苯并三嗪5-氧化物
5-oxidopyrazolo[5,1-c][1,2,4]benzotriazin-5-ium
Also Known As: pyrazolo[5,1-c][1,2,4]benzotriazine 5-oxide, 5-oxidopyrazolo[5,1-c][1,2,4]benzotriazin-5-ium, Pyrazolo[5,1-c][1,2,4] benzotriazine 5-oxide, 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 | C9H6N4O |
|---|---|
| Molecular Weight | 186.05 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 55.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 186.05415 |
| Heavy Atoms | 14 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 161464-42-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N3C(=CC=N3)N=[N+]2[O-] |
| InChIKey | DSRIFQOGAKVMES-UHFFFAOYSA-N |
Product Overview
吡唑并[5,1-c][1,2,4]苯并三嗪5-氧化物 (CAS 161464-42-2), with molecular formula C9H6N4O and molecular weight 186.05 g/mol. IUPAC: 5-oxidopyrazolo[5,1-c][1,2,4]benzotriazin-5-ium.
Chemical Property Profile of 吡唑并[5,1-c][1,2,4]苯并三嗪5-氧化物
Property Insights of 吡唑并[5,1-c][1,2,4]苯并三嗪5-氧化物
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 吡唑并[5,1-c][1,2,4]苯并三嗪5-氧化物. With a topological polar surface area (TPSA) of 55.7 Ų, 吡唑并[5,1-c][1,2,4]苯并三嗪5-氧化物 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 吡唑并[5,1-c][1,2,4]苯并三嗪5-氧化物 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 吡唑并[5,1-c][1,2,4]苯并三嗪5-氧化物?
The CAS number of 吡唑并[5,1-c][1,2,4]苯并三嗪5-氧化物 is 161464-42-2.
What is the molecular formula of 吡唑并[5,1-c][1,2,4]苯并三嗪5-氧化物?
The molecular formula of 吡唑并[5,1-c][1,2,4]苯并三嗪5-氧化物 is C9H6N4O.
What is the molecular weight of 吡唑并[5,1-c][1,2,4]苯并三嗪5-氧化物?
The molecular weight of 吡唑并[5,1-c][1,2,4]苯并三嗪5-氧化物 is 186.05 g/mol.
Where can I buy 吡唑并[5,1-c][1,2,4]苯并三嗪5-氧化物?
You can request a quote for 吡唑并[5,1-c][1,2,4]苯并三嗪5-氧化物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 吡唑并[5,1-c][1,2,4]苯并三嗪5-氧化物?
Yes, KEHONG BIO provides custom synthesis services for 吡唑并[5,1-c][1,2,4]苯并三嗪5-氧化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.