1,1'-Carbonyl-di-(1,2,4-triazole)
TL;DR: 1,1'-Carbonyl-di-(1,2,4-triazole) (CAS 289037-48-5) is a chemical compound with molecular formula C5H4N6O and molecular weight 164.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(1,2,4-triazol-1-yl)methanone
Also Known As: Di(1H-1,2,4-triazol-1-yl)methanone, 1,1'-Carbonyl-di-(1,2,4-triazole), 1,1'-CARBONYL-DI(1,2,4-TRIAZOLE), carbonylditriazole, Bis(1,2,4-triazol-1-yl)methanone
| Molecular Formula | C5H4N6O |
|---|---|
| Molecular Weight | 164.04 g/mol |
| LogP | -0.614 |
| Topological Polar Surface Area | 78.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 164.04466 |
| Heavy Atoms | 12 |
| Complexity | 326.3136 |
Chemical Identifiers
| CAS Number | 289037-48-5 |
|---|---|
| SMILES | C1=NN(C=N1)C(=O)N2C=NC=N2 |
Product Overview
1,1'-Carbonyl-di-(1,2,4-triazole) (CAS 289037-48-5), with molecular formula C5H4N6O and molecular weight 164.04 g/mol. IUPAC: bis(1,2,4-triazol-1-yl)methanone.
Chemical Property Profile of 1,1'-Carbonyl-di-(1,2,4-triazole)
Property Insights of 1,1'-Carbonyl-di-(1,2,4-triazole)
The XLogP value of -0.614 indicates that 1,1'-Carbonyl-di-(1,2,4-triazole) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 78.49 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1'-Carbonyl-di-(1,2,4-triazole). Following Lipinski's Rule of Five, 1,1'-Carbonyl-di-(1,2,4-triazole) 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 1,1'-Carbonyl-di-(1,2,4-triazole)?
The CAS number of 1,1'-Carbonyl-di-(1,2,4-triazole) is 289037-48-5.
What is the molecular formula of 1,1'-Carbonyl-di-(1,2,4-triazole)?
The molecular formula of 1,1'-Carbonyl-di-(1,2,4-triazole) is C5H4N6O.
What is the molecular weight of 1,1'-Carbonyl-di-(1,2,4-triazole)?
The molecular weight of 1,1'-Carbonyl-di-(1,2,4-triazole) is 164.04 g/mol.
Where can I buy 1,1'-Carbonyl-di-(1,2,4-triazole)?
You can request a quote for 1,1'-Carbonyl-di-(1,2,4-triazole) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1'-Carbonyl-di-(1,2,4-triazole)?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-Carbonyl-di-(1,2,4-triazole) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.