4-Nitrophenyl 4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate
TL;DR: 4-Nitrophenyl 4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate (CAS 380583-64-2) is a chemical compound with molecular formula C21H13N3O5 and molecular weight 387.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl) 4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate
Also Known As: 4-nitrophenyl 4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate, (4-nitrophenyl) 4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate
| Molecular Formula | C21H13N3O5 |
|---|---|
| Molecular Weight | 387.09 g/mol |
| LogP | 4.531 |
| Topological Polar Surface Area | 108.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 387.0855 |
| Heavy Atoms | 29 |
| Complexity | 1153.168 |
Chemical Identifiers
| CAS Number | 380583-64-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NN=C(O2)C3=CC=C(C=C3)C(=O)OC4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
4-Nitrophenyl 4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate (CAS 380583-64-2), with molecular formula C21H13N3O5 and molecular weight 387.09 g/mol. IUPAC: (4-nitrophenyl) 4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate.
Chemical Property Profile of 4-Nitrophenyl 4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate
Property Insights of 4-Nitrophenyl 4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate
The XLogP value of 4.531 indicates that 4-Nitrophenyl 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 108.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitrophenyl 4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate. Following Lipinski's Rule of Five, 4-Nitrophenyl 4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate has 0 hydrogen bond donor(s) and 7 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 4-Nitrophenyl 4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate?
The CAS number of 4-Nitrophenyl 4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate is 380583-64-2.
What is the molecular formula of 4-Nitrophenyl 4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate?
The molecular formula of 4-Nitrophenyl 4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate is C21H13N3O5.
What is the molecular weight of 4-Nitrophenyl 4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate?
The molecular weight of 4-Nitrophenyl 4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate is 387.09 g/mol.
Where can I buy 4-Nitrophenyl 4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate?
You can request a quote for 4-Nitrophenyl 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 4-Nitrophenyl 4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrophenyl 4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.