(3-Phenyl-1,2,4-oxadiazol-5-yl)methyl 4-(acetylamino)benzoate
TL;DR: (3-Phenyl-1,2,4-oxadiazol-5-yl)methyl 4-(acetylamino)benzoate (CAS 1241972-43-9) is a chemical compound with molecular formula C18H15N3O4 and molecular weight 337.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-acetamidobenzoate
Also Known As: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-(acetylamino)benzoate, (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-acetamidobenzoate
| Molecular Formula | C18H15N3O4 |
|---|---|
| Molecular Weight | 337.11 g/mol |
| LogP | 3.052 |
| Topological Polar Surface Area | 94.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 337.10626 |
| Heavy Atoms | 25 |
| Complexity | 872.85156 |
Chemical Identifiers
| CAS Number | 1241972-43-9 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)C(=O)OCC2=NC(=NO2)C3=CC=CC=C3 |
Product Overview
(3-Phenyl-1,2,4-oxadiazol-5-yl)methyl 4-(acetylamino)benzoate (CAS 1241972-43-9), with molecular formula C18H15N3O4 and molecular weight 337.11 g/mol. IUPAC: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-acetamidobenzoate.
Chemical Property Profile of (3-Phenyl-1,2,4-oxadiazol-5-yl)methyl 4-(acetylamino)benzoate
Property Insights of (3-Phenyl-1,2,4-oxadiazol-5-yl)methyl 4-(acetylamino)benzoate
The XLogP value of 3.052 indicates that (3-Phenyl-1,2,4-oxadiazol-5-yl)methyl 4-(acetylamino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.32 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-Phenyl-1,2,4-oxadiazol-5-yl)methyl 4-(acetylamino)benzoate. Following Lipinski's Rule of Five, (3-Phenyl-1,2,4-oxadiazol-5-yl)methyl 4-(acetylamino)benzoate has 1 hydrogen bond donor(s) and 6 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 (3-Phenyl-1,2,4-oxadiazol-5-yl)methyl 4-(acetylamino)benzoate?
The CAS number of (3-Phenyl-1,2,4-oxadiazol-5-yl)methyl 4-(acetylamino)benzoate is 1241972-43-9.
What is the molecular formula of (3-Phenyl-1,2,4-oxadiazol-5-yl)methyl 4-(acetylamino)benzoate?
The molecular formula of (3-Phenyl-1,2,4-oxadiazol-5-yl)methyl 4-(acetylamino)benzoate is C18H15N3O4.
What is the molecular weight of (3-Phenyl-1,2,4-oxadiazol-5-yl)methyl 4-(acetylamino)benzoate?
The molecular weight of (3-Phenyl-1,2,4-oxadiazol-5-yl)methyl 4-(acetylamino)benzoate is 337.11 g/mol.
Where can I buy (3-Phenyl-1,2,4-oxadiazol-5-yl)methyl 4-(acetylamino)benzoate?
You can request a quote for (3-Phenyl-1,2,4-oxadiazol-5-yl)methyl 4-(acetylamino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Phenyl-1,2,4-oxadiazol-5-yl)methyl 4-(acetylamino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (3-Phenyl-1,2,4-oxadiazol-5-yl)methyl 4-(acetylamino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.