![7-nitro-5H-[1,2,4]triazolo[3,4-b][1,3]benzothiazin-5-one structure](/static/products/797/797799-17-8.png)
7-nitro-5H-[1,2,4]triazolo[3,4-b][1,3]benzothiazin-5-one
TL;DR: 7-nitro-5H-[1,2,4]triazolo[3,4-b][1,3]benzothiazin-5-one (CAS 797799-17-8) is a chemical compound with molecular formula C9H4N4O3S and molecular weight 248.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-nitro-[1,2,4]triazolo[3,4-b][1,3]benzothiazin-5-one
Also Known As: 7-nitro-[1,2,4]triazolo[3,4-b][1,3]benzothiazin-5-one, 7-nitro-5H-[1,2,4]triazolo[3,4-b][1,3]benzothiazin-5-one, 7-nitro-5H-benzo[e][1,2,4]triazolo[3,4-b][1,3]thiazin-5-one
| Molecular Formula | C9H4N4O3S |
|---|---|
| Molecular Weight | 248.00 g/mol |
| LogP | 1.2124 |
| Topological Polar Surface Area | 90.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 248.00041 |
| Heavy Atoms | 17 |
| Complexity | 806.7075 |
Chemical Identifiers
| CAS Number | 797799-17-8 |
|---|---|
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N3C=NN=C3S2 |
Product Overview
7-nitro-5H-[1,2,4]triazolo[3,4-b][1,3]benzothiazin-5-one (CAS 797799-17-8), with molecular formula C9H4N4O3S and molecular weight 248.00 g/mol. IUPAC: 7-nitro-[1,2,4]triazolo[3,4-b][1,3]benzothiazin-5-one.
Chemical Property Profile of 7-nitro-5H-[1,2,4]triazolo[3,4-b][1,3]benzothiazin-5-one
Property Insights of 7-nitro-5H-[1,2,4]triazolo[3,4-b][1,3]benzothiazin-5-one
The XLogP value of 1.2124 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-nitro-5H-[1,2,4]triazolo[3,4-b][1,3]benzothiazin-5-one. The TPSA of 90.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-nitro-5H-[1,2,4]triazolo[3,4-b][1,3]benzothiazin-5-one. Following Lipinski's Rule of Five, 7-nitro-5H-[1,2,4]triazolo[3,4-b][1,3]benzothiazin-5-one has 0 hydrogen bond donor(s) and 6 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-nitro-5H-[1,2,4]triazolo[3,4-b][1,3]benzothiazin-5-one?
The CAS number of 7-nitro-5H-[1,2,4]triazolo[3,4-b][1,3]benzothiazin-5-one is 797799-17-8.
What is the molecular formula of 7-nitro-5H-[1,2,4]triazolo[3,4-b][1,3]benzothiazin-5-one?
The molecular formula of 7-nitro-5H-[1,2,4]triazolo[3,4-b][1,3]benzothiazin-5-one is C9H4N4O3S.
What is the molecular weight of 7-nitro-5H-[1,2,4]triazolo[3,4-b][1,3]benzothiazin-5-one?
The molecular weight of 7-nitro-5H-[1,2,4]triazolo[3,4-b][1,3]benzothiazin-5-one is 248.00 g/mol.
Where can I buy 7-nitro-5H-[1,2,4]triazolo[3,4-b][1,3]benzothiazin-5-one?
You can request a quote for 7-nitro-5H-[1,2,4]triazolo[3,4-b][1,3]benzothiazin-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-nitro-5H-[1,2,4]triazolo[3,4-b][1,3]benzothiazin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 7-nitro-5H-[1,2,4]triazolo[3,4-b][1,3]benzothiazin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.