2H-1,2,5-Thiadiazino(5,6-a)benzimidazole, 3,4-dihydro-2-ethyl-7-nitro-3-(4-nitrophenyl)-, 1,1-dioxide
TL;DR: 2H-1,2,5-Thiadiazino(5,6-a)benzimidazole, 3,4-dihydro-2-ethyl-7-nitro-3-(4-nitrophenyl)-, 1,1-dioxide (CAS 115242-30-3) is a chemical compound with molecular formula C17H13N5O6S and molecular weight 415.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-7-nitro-3-(4-nitrophenyl)-[1,2,5]thiadiazino[5,6-a]benzimidazole 1,1-dioxide
Also Known As: 2H-1,2,5-Thiadiazino(5,6-a)benzimidazole, 3,4-dihydro-2-ethyl-7-nitro-3-(4-nitrophenyl)-, 1,1-dioxide, 2-ethyl-7-nitro-3-(4-nitrophenyl)-[1,2,5]thiadiazino[5,6-a]benzimidazole 1,1-dioxide, 2-Ethyl-7-nitro-3-(4-nitrophenyl)-1lambda~6~-[1,2,5]thiadiazino[5,6-a][1,3]benzimidazole-1,1(2H)-dione, RefChem:267658
| Molecular Formula | C17H13N5O6S |
|---|---|
| Molecular Weight | 415.06 g/mol |
| LogP | 2.8325 |
| Topological Polar Surface Area | 141.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 415.05865 |
| Heavy Atoms | 29 |
| Complexity | 1310.082 |
Chemical Identifiers
| CAS Number | 115242-30-3 |
|---|---|
| SMILES | CCN1C(=CN2C3=C(C=CC(=C3)[N+](=O)[O-])N=C2S1(=O)=O)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
2H-1,2,5-Thiadiazino(5,6-a)benzimidazole, 3,4-dihydro-2-ethyl-7-nitro-3-(4-nitrophenyl)-, 1,1-dioxide (CAS 115242-30-3), with molecular formula C17H13N5O6S and molecular weight 415.06 g/mol. IUPAC: 2-ethyl-7-nitro-3-(4-nitrophenyl)-[1,2,5]thiadiazino[5,6-a]benzimidazole 1,1-dioxide.
Chemical Property Profile of 2H-1,2,5-Thiadiazino(5,6-a)benzimidazole, 3,4-dihydro-2-ethyl-7-nitro-3-(4-nitrophenyl)-, 1,1-dioxide
Property Insights of 2H-1,2,5-Thiadiazino(5,6-a)benzimidazole, 3,4-dihydro-2-ethyl-7-nitro-3-(4-nitrophenyl)-, 1,1-dioxide
The XLogP value of 2.8325 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1,2,5-Thiadiazino(5,6-a)benzimidazole, 3,4-dihydro-2-ethyl-7-nitro-3-(4-nitrophenyl)-, 1,1-dioxide. The TPSA of 141.48 Ų indicates high polarity, suggesting 2H-1,2,5-Thiadiazino(5,6-a)benzimidazole, 3,4-dihydro-2-ethyl-7-nitro-3-(4-nitrophenyl)-, 1,1-dioxide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2H-1,2,5-Thiadiazino(5,6-a)benzimidazole, 3,4-dihydro-2-ethyl-7-nitro-3-(4-nitrophenyl)-, 1,1-dioxide has 0 hydrogen bond donor(s) and 7 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 2H-1,2,5-Thiadiazino(5,6-a)benzimidazole, 3,4-dihydro-2-ethyl-7-nitro-3-(4-nitrophenyl)-, 1,1-dioxide?
The CAS number of 2H-1,2,5-Thiadiazino(5,6-a)benzimidazole, 3,4-dihydro-2-ethyl-7-nitro-3-(4-nitrophenyl)-, 1,1-dioxide is 115242-30-3.
What is the molecular formula of 2H-1,2,5-Thiadiazino(5,6-a)benzimidazole, 3,4-dihydro-2-ethyl-7-nitro-3-(4-nitrophenyl)-, 1,1-dioxide?
The molecular formula of 2H-1,2,5-Thiadiazino(5,6-a)benzimidazole, 3,4-dihydro-2-ethyl-7-nitro-3-(4-nitrophenyl)-, 1,1-dioxide is C17H13N5O6S.
What is the molecular weight of 2H-1,2,5-Thiadiazino(5,6-a)benzimidazole, 3,4-dihydro-2-ethyl-7-nitro-3-(4-nitrophenyl)-, 1,1-dioxide?
The molecular weight of 2H-1,2,5-Thiadiazino(5,6-a)benzimidazole, 3,4-dihydro-2-ethyl-7-nitro-3-(4-nitrophenyl)-, 1,1-dioxide is 415.06 g/mol.
Where can I buy 2H-1,2,5-Thiadiazino(5,6-a)benzimidazole, 3,4-dihydro-2-ethyl-7-nitro-3-(4-nitrophenyl)-, 1,1-dioxide?
You can request a quote for 2H-1,2,5-Thiadiazino(5,6-a)benzimidazole, 3,4-dihydro-2-ethyl-7-nitro-3-(4-nitrophenyl)-, 1,1-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-1,2,5-Thiadiazino(5,6-a)benzimidazole, 3,4-dihydro-2-ethyl-7-nitro-3-(4-nitrophenyl)-, 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 2H-1,2,5-Thiadiazino(5,6-a)benzimidazole, 3,4-dihydro-2-ethyl-7-nitro-3-(4-nitrophenyl)-, 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.