![Methyl 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzoate structure](/static/products/7244/724446-62-2.webp)
Methyl 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzoate
TL;DR: Methyl 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzoate (CAS 724446-62-2) is a chemical compound with molecular formula C16H11ClN2O3 and molecular weight 314.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzoate
Also Known As: methyl 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzoate, AP-964/42235035, methyl 4-(3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl)benzoate
| Molecular Formula | C16H11ClN2O3 |
|---|---|
| Molecular Weight | 314.05 g/mol |
| LogP | 3.8436 |
| Topological Polar Surface Area | 65.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.0458 |
| Heavy Atoms | 22 |
| Complexity | 795.01807 |
Chemical Identifiers
| CAS Number | 724446-62-2 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C2=NC(=NO2)C3=CC=C(C=C3)Cl |
Product Overview
Methyl 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzoate (CAS 724446-62-2), with molecular formula C16H11ClN2O3 and molecular weight 314.05 g/mol. IUPAC: methyl 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzoate.
Chemical Property Profile of Methyl 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzoate
Property Insights of Methyl 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzoate
The XLogP value of 3.8436 indicates that Methyl 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.22 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzoate. Following Lipinski's Rule of Five, Methyl 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzoate has 0 hydrogen bond donor(s) and 5 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 Methyl 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzoate?
The CAS number of Methyl 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzoate is 724446-62-2.
What is the molecular formula of Methyl 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzoate?
The molecular formula of Methyl 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzoate is C16H11ClN2O3.
What is the molecular weight of Methyl 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzoate?
The molecular weight of Methyl 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzoate is 314.05 g/mol.
Where can I buy Methyl 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzoate?
You can request a quote for Methyl 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.