![4-Nitro[1,2,5]thiadiazolo[3,4-e][2,1,3]benzothiadiazole structure](/static/products/591/59127-46-7.png)
4-Nitro[1,2,5]thiadiazolo[3,4-e][2,1,3]benzothiadiazole
TL;DR: 4-Nitro[1,2,5]thiadiazolo[3,4-e][2,1,3]benzothiadiazole (CAS 59127-46-7) is a chemical compound with molecular formula C6HN5O2S2 and molecular weight 238.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitro-[1,2,5]thiadiazolo[3,4-g][2,1,3]benzothiadiazole
Also Known As: BAS 00319094, J2.927.305G, 4-Nitro-benzo[1,2-c;3,4-c']bis[1,2,5]thiadiazole, 4-nitro-[1,2,5]thiadiazolo[3,4-g][2,1,3]benzothiadiazole, 4-nitro[1,2,5]thiadiazolo[3,4-e][2,1,3]benzothiadiazole
| Molecular Formula | C6HN5O2S2 |
|---|---|
| Molecular Weight | 238.96 g/mol |
| LogP | 1.6042 |
| Topological Polar Surface Area | 94.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 238.95717 |
| Heavy Atoms | 15 |
| Complexity | 674.32745 |
Chemical Identifiers
| CAS Number | 59127-46-7 |
|---|---|
| SMILES | C1=C(C2=NSN=C2C3=NSN=C31)[N+](=O)[O-] |
Product Overview
4-Nitro[1,2,5]thiadiazolo[3,4-e][2,1,3]benzothiadiazole (CAS 59127-46-7), with molecular formula C6HN5O2S2 and molecular weight 238.96 g/mol. IUPAC: 4-nitro-[1,2,5]thiadiazolo[3,4-g][2,1,3]benzothiadiazole.
Chemical Property Profile of 4-Nitro[1,2,5]thiadiazolo[3,4-e][2,1,3]benzothiadiazole
Property Insights of 4-Nitro[1,2,5]thiadiazolo[3,4-e][2,1,3]benzothiadiazole
The XLogP value of 1.6042 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitro[1,2,5]thiadiazolo[3,4-e][2,1,3]benzothiadiazole. The TPSA of 94.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitro[1,2,5]thiadiazolo[3,4-e][2,1,3]benzothiadiazole. Following Lipinski's Rule of Five, 4-Nitro[1,2,5]thiadiazolo[3,4-e][2,1,3]benzothiadiazole has 0 hydrogen bond donor(s) and 8 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 4-Nitro[1,2,5]thiadiazolo[3,4-e][2,1,3]benzothiadiazole?
The CAS number of 4-Nitro[1,2,5]thiadiazolo[3,4-e][2,1,3]benzothiadiazole is 59127-46-7.
What is the molecular formula of 4-Nitro[1,2,5]thiadiazolo[3,4-e][2,1,3]benzothiadiazole?
The molecular formula of 4-Nitro[1,2,5]thiadiazolo[3,4-e][2,1,3]benzothiadiazole is C6HN5O2S2.
What is the molecular weight of 4-Nitro[1,2,5]thiadiazolo[3,4-e][2,1,3]benzothiadiazole?
The molecular weight of 4-Nitro[1,2,5]thiadiazolo[3,4-e][2,1,3]benzothiadiazole is 238.96 g/mol.
Where can I buy 4-Nitro[1,2,5]thiadiazolo[3,4-e][2,1,3]benzothiadiazole?
You can request a quote for 4-Nitro[1,2,5]thiadiazolo[3,4-e][2,1,3]benzothiadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitro[1,2,5]thiadiazolo[3,4-e][2,1,3]benzothiadiazole?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitro[1,2,5]thiadiazolo[3,4-e][2,1,3]benzothiadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.