4H-s-Triazolo(3,4-c)(1,4)benzothiazine, 8-nitro-
TL;DR: 4H-s-Triazolo(3,4-c)(1,4)benzothiazine, 8-nitro- (CAS 99286-74-5) is a chemical compound with molecular formula C9H6N4O2S and molecular weight 234.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-nitro-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine
Also Known As: 4H-s-Triazolo(3,4-c)(1,4)benzothiazine, 8-nitro-, 8-Nitro-4H-s-triazolo(3,4-c)(1,4)benzothiazine, 8-nitro-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine, RefChem:297914
| Molecular Formula | C9H6N4O2S |
|---|---|
| Molecular Weight | 234.02 g/mol |
| LogP | 1.7812 |
| Topological Polar Surface Area | 73.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 234.02115 |
| Heavy Atoms | 16 |
| Complexity | 580.638 |
Chemical Identifiers
| CAS Number | 99286-74-5 |
|---|---|
| SMILES | C1C2=NN=CN2C3=C(S1)C=CC(=C3)[N+](=O)[O-] |
Product Overview
4H-s-Triazolo(3,4-c)(1,4)benzothiazine, 8-nitro- (CAS 99286-74-5), with molecular formula C9H6N4O2S and molecular weight 234.02 g/mol. IUPAC: 8-nitro-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine.
Chemical Property Profile of 4H-s-Triazolo(3,4-c)(1,4)benzothiazine, 8-nitro-
Property Insights of 4H-s-Triazolo(3,4-c)(1,4)benzothiazine, 8-nitro-
The XLogP value of 1.7812 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-s-Triazolo(3,4-c)(1,4)benzothiazine, 8-nitro-. The TPSA of 73.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H-s-Triazolo(3,4-c)(1,4)benzothiazine, 8-nitro-. Following Lipinski's Rule of Five, 4H-s-Triazolo(3,4-c)(1,4)benzothiazine, 8-nitro- 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 4H-s-Triazolo(3,4-c)(1,4)benzothiazine, 8-nitro-?
The CAS number of 4H-s-Triazolo(3,4-c)(1,4)benzothiazine, 8-nitro- is 99286-74-5.
What is the molecular formula of 4H-s-Triazolo(3,4-c)(1,4)benzothiazine, 8-nitro-?
The molecular formula of 4H-s-Triazolo(3,4-c)(1,4)benzothiazine, 8-nitro- is C9H6N4O2S.
What is the molecular weight of 4H-s-Triazolo(3,4-c)(1,4)benzothiazine, 8-nitro-?
The molecular weight of 4H-s-Triazolo(3,4-c)(1,4)benzothiazine, 8-nitro- is 234.02 g/mol.
Where can I buy 4H-s-Triazolo(3,4-c)(1,4)benzothiazine, 8-nitro-?
You can request a quote for 4H-s-Triazolo(3,4-c)(1,4)benzothiazine, 8-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-s-Triazolo(3,4-c)(1,4)benzothiazine, 8-nitro-?
Yes, KEHONG BIO provides custom synthesis services for 4H-s-Triazolo(3,4-c)(1,4)benzothiazine, 8-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.