2-(3,4-Dimethylphenyl)-2-oxoethyl 4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate
TL;DR: 2-(3,4-Dimethylphenyl)-2-oxoethyl 4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate (CAS 296245-08-4) is a chemical compound with molecular formula C25H20N2O4 and molecular weight 412.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3,4-dimethylphenyl)-2-oxoethyl] 4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate
Also Known As: TimTec1_002599, 2-(3,4-dimethylphenyl)-2-oxoethyl 4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate, A2243/0094460, [2-(3,4-dimethylphenyl)-2-oxoethyl] 4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate
| Molecular Formula | C25H20N2O4 |
|---|---|
| Molecular Weight | 412.14 g/mol |
| LogP | 5.06014 |
| Topological Polar Surface Area | 82.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 412.1423 |
| Heavy Atoms | 31 |
| Complexity | 1228.1339 |
Chemical Identifiers
| CAS Number | 296245-08-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)C3=NN=C(O3)C4=CC=CC=C4)C |
Product Overview
2-(3,4-Dimethylphenyl)-2-oxoethyl 4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate (CAS 296245-08-4), with molecular formula C25H20N2O4 and molecular weight 412.14 g/mol. IUPAC: [2-(3,4-dimethylphenyl)-2-oxoethyl] 4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate.
Chemical Property Profile of 2-(3,4-Dimethylphenyl)-2-oxoethyl 4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate
Property Insights of 2-(3,4-Dimethylphenyl)-2-oxoethyl 4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate
The XLogP value of 5.06014 indicates that 2-(3,4-Dimethylphenyl)-2-oxoethyl 4-(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 82.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3,4-Dimethylphenyl)-2-oxoethyl 4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate. Following Lipinski's Rule of Five, 2-(3,4-Dimethylphenyl)-2-oxoethyl 4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(3,4-Dimethylphenyl)-2-oxoethyl 4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate?
The CAS number of 2-(3,4-Dimethylphenyl)-2-oxoethyl 4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate is 296245-08-4.
What is the molecular formula of 2-(3,4-Dimethylphenyl)-2-oxoethyl 4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate?
The molecular formula of 2-(3,4-Dimethylphenyl)-2-oxoethyl 4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate is C25H20N2O4.
What is the molecular weight of 2-(3,4-Dimethylphenyl)-2-oxoethyl 4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate?
The molecular weight of 2-(3,4-Dimethylphenyl)-2-oxoethyl 4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate is 412.14 g/mol.
Where can I buy 2-(3,4-Dimethylphenyl)-2-oxoethyl 4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate?
You can request a quote for 2-(3,4-Dimethylphenyl)-2-oxoethyl 4-(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 2-(3,4-Dimethylphenyl)-2-oxoethyl 4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,4-Dimethylphenyl)-2-oxoethyl 4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.