4-(Isopropoxycarbonyl)benzyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate
TL;DR: 4-(Isopropoxycarbonyl)benzyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate (CAS 708245-41-4) is a chemical compound with molecular formula C26H22N2O5 and molecular weight 442.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-propan-2-yloxycarbonylphenyl)methyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate
Also Known As: 4-(isopropoxycarbonyl)benzyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate, (4-propan-2-yloxycarbonylphenyl)methyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate
| Molecular Formula | C26H22N2O5 |
|---|---|
| Molecular Weight | 442.15 g/mol |
| LogP | 5.3258 |
| Topological Polar Surface Area | 91.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 442.15286 |
| Heavy Atoms | 33 |
| Complexity | 1247.1895 |
Chemical Identifiers
| CAS Number | 708245-41-4 |
|---|---|
| SMILES | CC(C)OC(=O)C1=CC=C(C=C1)COC(=O)C2=CC=CC(=C2)C3=NN=C(O3)C4=CC=CC=C4 |
Product Overview
4-(Isopropoxycarbonyl)benzyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate (CAS 708245-41-4), with molecular formula C26H22N2O5 and molecular weight 442.15 g/mol. IUPAC: (4-propan-2-yloxycarbonylphenyl)methyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate.
Chemical Property Profile of 4-(Isopropoxycarbonyl)benzyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate
Property Insights of 4-(Isopropoxycarbonyl)benzyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate
The XLogP value of 5.3258 indicates that 4-(Isopropoxycarbonyl)benzyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Isopropoxycarbonyl)benzyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate. Following Lipinski's Rule of Five, 4-(Isopropoxycarbonyl)benzyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(Isopropoxycarbonyl)benzyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate?
The CAS number of 4-(Isopropoxycarbonyl)benzyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate is 708245-41-4.
What is the molecular formula of 4-(Isopropoxycarbonyl)benzyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate?
The molecular formula of 4-(Isopropoxycarbonyl)benzyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate is C26H22N2O5.
What is the molecular weight of 4-(Isopropoxycarbonyl)benzyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate?
The molecular weight of 4-(Isopropoxycarbonyl)benzyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate is 442.15 g/mol.
Where can I buy 4-(Isopropoxycarbonyl)benzyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate?
You can request a quote for 4-(Isopropoxycarbonyl)benzyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Isopropoxycarbonyl)benzyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-(Isopropoxycarbonyl)benzyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.