1,1'-(5,5'-dinitro-2H,2'H-3,3'-bi-1,2,4-triazole-2,2'-diyl)dipropan-2-one
TL;DR: 1,1'-(5,5'-dinitro-2H,2'H-3,3'-bi-1,2,4-triazole-2,2'-diyl)dipropan-2-one (CAS 131394-12-2) is a chemical compound with molecular formula C10H10N8O6 and molecular weight 338.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-nitro-5-[5-nitro-2-(2-oxopropyl)-1,2,4-triazol-3-yl]-1,2,4-triazol-1-yl]propan-2-one
Also Known As: 1,1'-(5,5'-dinitro-2H,2'H-3,3'-bi-1,2,4-triazole-2,2'-diyl)dipropan-2-one, 1-[3-nitro-5-[5-nitro-2-(2-oxopropyl)-1,2,4-triazol-3-yl]-1,2,4-triazol-1-yl]propan-2-one, 1,1'-(5,5'-Dinitro-2H,2'H-[3,3'-bi-1,2,4-triazole]-2,2'-diyl)di(propan-2-one), 2-Propanone, 1,1a(2)-(3,3a(2)-dinitro[5,5a(2)-bi-1H-1,2,4-triazole]-1,1a(2)-diyl)bis-
| Molecular Formula | C10H10N8O6 |
|---|---|
| Molecular Weight | 338.07 g/mol |
| LogP | -0.469 |
| Topological Polar Surface Area | 181.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 338.07233 |
| Heavy Atoms | 24 |
| Complexity | 781.4007 |
Chemical Identifiers
| CAS Number | 131394-12-2 |
|---|---|
| SMILES | CC(=O)CN1C(=NC(=N1)[N+](=O)[O-])C2=NC(=NN2CC(=O)C)[N+](=O)[O-] |
Product Overview
1,1'-(5,5'-dinitro-2H,2'H-3,3'-bi-1,2,4-triazole-2,2'-diyl)dipropan-2-one (CAS 131394-12-2), with molecular formula C10H10N8O6 and molecular weight 338.07 g/mol. IUPAC: 1-[3-nitro-5-[5-nitro-2-(2-oxopropyl)-1,2,4-triazol-3-yl]-1,2,4-triazol-1-yl]propan-2-one.
Chemical Property Profile of 1,1'-(5,5'-dinitro-2H,2'H-3,3'-bi-1,2,4-triazole-2,2'-diyl)dipropan-2-one
Property Insights of 1,1'-(5,5'-dinitro-2H,2'H-3,3'-bi-1,2,4-triazole-2,2'-diyl)dipropan-2-one
The XLogP value of -0.469 indicates that 1,1'-(5,5'-dinitro-2H,2'H-3,3'-bi-1,2,4-triazole-2,2'-diyl)dipropan-2-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 181.84 Ų indicates high polarity, suggesting 1,1'-(5,5'-dinitro-2H,2'H-3,3'-bi-1,2,4-triazole-2,2'-diyl)dipropan-2-one may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,1'-(5,5'-dinitro-2H,2'H-3,3'-bi-1,2,4-triazole-2,2'-diyl)dipropan-2-one has 0 hydrogen bond donor(s) and 10 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 1,1'-(5,5'-dinitro-2H,2'H-3,3'-bi-1,2,4-triazole-2,2'-diyl)dipropan-2-one?
The CAS number of 1,1'-(5,5'-dinitro-2H,2'H-3,3'-bi-1,2,4-triazole-2,2'-diyl)dipropan-2-one is 131394-12-2.
What is the molecular formula of 1,1'-(5,5'-dinitro-2H,2'H-3,3'-bi-1,2,4-triazole-2,2'-diyl)dipropan-2-one?
The molecular formula of 1,1'-(5,5'-dinitro-2H,2'H-3,3'-bi-1,2,4-triazole-2,2'-diyl)dipropan-2-one is C10H10N8O6.
What is the molecular weight of 1,1'-(5,5'-dinitro-2H,2'H-3,3'-bi-1,2,4-triazole-2,2'-diyl)dipropan-2-one?
The molecular weight of 1,1'-(5,5'-dinitro-2H,2'H-3,3'-bi-1,2,4-triazole-2,2'-diyl)dipropan-2-one is 338.07 g/mol.
Where can I buy 1,1'-(5,5'-dinitro-2H,2'H-3,3'-bi-1,2,4-triazole-2,2'-diyl)dipropan-2-one?
You can request a quote for 1,1'-(5,5'-dinitro-2H,2'H-3,3'-bi-1,2,4-triazole-2,2'-diyl)dipropan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1'-(5,5'-dinitro-2H,2'H-3,3'-bi-1,2,4-triazole-2,2'-diyl)dipropan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-(5,5'-dinitro-2H,2'H-3,3'-bi-1,2,4-triazole-2,2'-diyl)dipropan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.