Bis(benzotriazol-1-yl) oxalate
TL;DR: Bis(benzotriazol-1-yl) oxalate (CAS 89028-37-5) is a chemical compound with molecular formula C14H8N6O4 and molecular weight 324.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(benzotriazol-1-yl) oxalate
Also Known As: Bis oxalate, Dibenzotriazol-1-yl Oxalate, DBTO, bis(benzotriazol-1-yl) oxalate, 1-Benzotriazolyl oxalate
| Molecular Formula | C14H8N6O4 |
|---|---|
| Molecular Weight | 324.06 g/mol |
| LogP | -0.2134 |
| Topological Polar Surface Area | 114.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 324.0607 |
| Heavy Atoms | 24 |
| Complexity | 983.2063 |
Chemical Identifiers
| CAS Number | 89028-37-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=NN2OC(=O)C(=O)ON3C4=CC=CC=C4N=N3 |
Product Overview
Bis(benzotriazol-1-yl) oxalate (CAS 89028-37-5), with molecular formula C14H8N6O4 and molecular weight 324.06 g/mol. IUPAC: bis(benzotriazol-1-yl) oxalate.
Chemical Property Profile of Bis(benzotriazol-1-yl) oxalate
Property Insights of Bis(benzotriazol-1-yl) oxalate
The XLogP value of -0.2134 indicates that Bis(benzotriazol-1-yl) oxalate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 114.02 Ų falls within the moderate polarity range, balancing permeability and solubility for Bis(benzotriazol-1-yl) oxalate. Following Lipinski's Rule of Five, Bis(benzotriazol-1-yl) oxalate 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 Bis(benzotriazol-1-yl) oxalate?
The CAS number of Bis(benzotriazol-1-yl) oxalate is 89028-37-5.
What is the molecular formula of Bis(benzotriazol-1-yl) oxalate?
The molecular formula of Bis(benzotriazol-1-yl) oxalate is C14H8N6O4.
What is the molecular weight of Bis(benzotriazol-1-yl) oxalate?
The molecular weight of Bis(benzotriazol-1-yl) oxalate is 324.06 g/mol.
Where can I buy Bis(benzotriazol-1-yl) oxalate?
You can request a quote for Bis(benzotriazol-1-yl) oxalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(benzotriazol-1-yl) oxalate?
Yes, KEHONG BIO provides custom synthesis services for Bis(benzotriazol-1-yl) oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.