1-(2-phenyl-2H-1,2,3-triazol-4-yl)butane-1,2,3-triyl tribenzoate
TL;DR: 1-(2-phenyl-2H-1,2,3-triazol-4-yl)butane-1,2,3-triyl tribenzoate (CAS 6947-61-1) is a chemical compound with molecular formula C33H27N3O6 and molecular weight 561.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,4-dibenzoyloxy-4-(2-phenyltriazol-4-yl)butan-2-yl] benzoate
Also Known As: [3,4-dibenzoyloxy-4-(2-phenyltriazol-4-yl)butan-2-yl] benzoate|1-(2-phenyl-2H-1,2,3-triazol-4-yl)butane-1,2,3-triyl tribenzoate|[3,4-dibenzoyloxy-4-(2-phenyltriazol-4-yl)butan-2-yl] benzoa
| Molecular Formula | C33H27N3O6 |
|---|---|
| Molecular Weight | 561.19 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 561.19 |
| Heavy Atoms | 42 |
| Complexity | 877.0 |
Chemical Identifiers
| CAS Number | 6947-61-1 |
|---|---|
| SMILES | CC(C(C(C1=NN(N=C1)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5 |
| InChIKey | COAMQDLSCKMTDE-UHFFFAOYSA-N |
Product Overview
1-(2-phenyl-2H-1,2,3-triazol-4-yl)butane-1,2,3-triyl tribenzoate (CAS 6947-61-1), with molecular formula C33H27N3O6 and molecular weight 561.19 g/mol. IUPAC: [3,4-dibenzoyloxy-4-(2-phenyltriazol-4-yl)butan-2-yl] benzoate.
Chemical Property Profile of 1-(2-phenyl-2H-1,2,3-triazol-4-yl)butane-1,2,3-triyl tribenzoate
Property Insights of 1-(2-phenyl-2H-1,2,3-triazol-4-yl)butane-1,2,3-triyl tribenzoate
The XLogP value of 6.9 indicates that 1-(2-phenyl-2H-1,2,3-triazol-4-yl)butane-1,2,3-triyl tribenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-phenyl-2H-1,2,3-triazol-4-yl)butane-1,2,3-triyl tribenzoate. Following Lipinski's Rule of Five, 1-(2-phenyl-2H-1,2,3-triazol-4-yl)butane-1,2,3-triyl tribenzoate has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(2-phenyl-2H-1,2,3-triazol-4-yl)butane-1,2,3-triyl tribenzoate?
The CAS number of 1-(2-phenyl-2H-1,2,3-triazol-4-yl)butane-1,2,3-triyl tribenzoate is 6947-61-1.
What is the molecular formula of 1-(2-phenyl-2H-1,2,3-triazol-4-yl)butane-1,2,3-triyl tribenzoate?
The molecular formula of 1-(2-phenyl-2H-1,2,3-triazol-4-yl)butane-1,2,3-triyl tribenzoate is C33H27N3O6.
What is the molecular weight of 1-(2-phenyl-2H-1,2,3-triazol-4-yl)butane-1,2,3-triyl tribenzoate?
The molecular weight of 1-(2-phenyl-2H-1,2,3-triazol-4-yl)butane-1,2,3-triyl tribenzoate is 561.19 g/mol.
Where can I buy 1-(2-phenyl-2H-1,2,3-triazol-4-yl)butane-1,2,3-triyl tribenzoate?
You can request a quote for 1-(2-phenyl-2H-1,2,3-triazol-4-yl)butane-1,2,3-triyl tribenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-phenyl-2H-1,2,3-triazol-4-yl)butane-1,2,3-triyl tribenzoate?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-phenyl-2H-1,2,3-triazol-4-yl)butane-1,2,3-triyl tribenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.