![isopropyl 4-[(3,5-diphenyl-4H-1,2,4-triazol-4-yl)methyl]benzoate structure](/static/products/7082/708287-91-6.webp)
isopropyl 4-[(3,5-diphenyl-4H-1,2,4-triazol-4-yl)methyl]benzoate
TL;DR: isopropyl 4-[(3,5-diphenyl-4H-1,2,4-triazol-4-yl)methyl]benzoate (CAS 708287-91-6) is a chemical compound with molecular formula C25H23N3O2 and molecular weight 397.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 4-[(3,5-diphenyl-1,2,4-triazol-4-yl)methyl]benzoate
Also Known As: isopropyl 4-[(3,5-diphenyl-4H-1,2,4-triazol-4-yl)methyl]benzoate, propan-2-yl 4-[(3,5-diphenyl-1,2,4-triazol-4-yl)methyl]benzoate, isopropyl 4-((3,5-diphenyl-4H-1,2,4-triazol-4-yl)methyl)benzoate, propan-2-yl 4-[(3,5-diphenyl-4H-1,2,4-triazol-4-yl)methyl]benzoate
| Molecular Formula | C25H23N3O2 |
|---|---|
| Molecular Weight | 397.18 g/mol |
| LogP | 5.2256 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 397.17902 |
| Heavy Atoms | 30 |
| Complexity | 1061.2946 |
Chemical Identifiers
| CAS Number | 708287-91-6 |
|---|---|
| SMILES | CC(C)OC(=O)C1=CC=C(C=C1)CN2C(=NN=C2C3=CC=CC=C3)C4=CC=CC=C4 |
Product Overview
isopropyl 4-[(3,5-diphenyl-4H-1,2,4-triazol-4-yl)methyl]benzoate (CAS 708287-91-6), with molecular formula C25H23N3O2 and molecular weight 397.18 g/mol. IUPAC: propan-2-yl 4-[(3,5-diphenyl-1,2,4-triazol-4-yl)methyl]benzoate.
Chemical Property Profile of isopropyl 4-[(3,5-diphenyl-4H-1,2,4-triazol-4-yl)methyl]benzoate
Property Insights of isopropyl 4-[(3,5-diphenyl-4H-1,2,4-triazol-4-yl)methyl]benzoate
The XLogP value of 5.2256 indicates that isopropyl 4-[(3,5-diphenyl-4H-1,2,4-triazol-4-yl)methyl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.01 Ų, isopropyl 4-[(3,5-diphenyl-4H-1,2,4-triazol-4-yl)methyl]benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, isopropyl 4-[(3,5-diphenyl-4H-1,2,4-triazol-4-yl)methyl]benzoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of isopropyl 4-[(3,5-diphenyl-4H-1,2,4-triazol-4-yl)methyl]benzoate?
The CAS number of isopropyl 4-[(3,5-diphenyl-4H-1,2,4-triazol-4-yl)methyl]benzoate is 708287-91-6.
What is the molecular formula of isopropyl 4-[(3,5-diphenyl-4H-1,2,4-triazol-4-yl)methyl]benzoate?
The molecular formula of isopropyl 4-[(3,5-diphenyl-4H-1,2,4-triazol-4-yl)methyl]benzoate is C25H23N3O2.
What is the molecular weight of isopropyl 4-[(3,5-diphenyl-4H-1,2,4-triazol-4-yl)methyl]benzoate?
The molecular weight of isopropyl 4-[(3,5-diphenyl-4H-1,2,4-triazol-4-yl)methyl]benzoate is 397.18 g/mol.
Where can I buy isopropyl 4-[(3,5-diphenyl-4H-1,2,4-triazol-4-yl)methyl]benzoate?
You can request a quote for isopropyl 4-[(3,5-diphenyl-4H-1,2,4-triazol-4-yl)methyl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for isopropyl 4-[(3,5-diphenyl-4H-1,2,4-triazol-4-yl)methyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for isopropyl 4-[(3,5-diphenyl-4H-1,2,4-triazol-4-yl)methyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.