Methyl 5-(4-methylphenyl)-2,3-diphenyl-1,2,4-oxadiazole-3-carboxylate
TL;DR: Methyl 5-(4-methylphenyl)-2,3-diphenyl-1,2,4-oxadiazole-3-carboxylate (CAS 85653-73-2) is a chemical compound with molecular formula C23H20N2O3 and molecular weight 372.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-(4-methylphenyl)-2,3-diphenyl-1,2,4-oxadiazole-3-carboxylate
Also Known As: methyl 5-(4-methylphenyl)-2,3-diphenyl-1,2,4-oxadiazole-3-carboxylate, methyl 5-(4-methylphenyl)-2,3-diphenyl-1,2,4-oxadiazole-3-ca, Methyl 5-(4-methylphenyl)-2,3-diphenyl-2,3-dihydro-1,2,4-oxadiazole-3-carboxylate
| Molecular Formula | C23H20N2O3 |
|---|---|
| Molecular Weight | 372.15 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 51.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 372.1474 |
| Heavy Atoms | 28 |
| Complexity | 572.0 |
Chemical Identifiers
| CAS Number | 85653-73-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NC(N(O2)C3=CC=CC=C3)(C4=CC=CC=C4)C(=O)OC |
| InChIKey | JIAVRFRADFGXGK-UHFFFAOYSA-N |
Product Overview
Methyl 5-(4-methylphenyl)-2,3-diphenyl-1,2,4-oxadiazole-3-carboxylate (CAS 85653-73-2), with molecular formula C23H20N2O3 and molecular weight 372.15 g/mol. IUPAC: methyl 5-(4-methylphenyl)-2,3-diphenyl-1,2,4-oxadiazole-3-carboxylate.
Chemical Property Profile of Methyl 5-(4-methylphenyl)-2,3-diphenyl-1,2,4-oxadiazole-3-carboxylate
Property Insights of Methyl 5-(4-methylphenyl)-2,3-diphenyl-1,2,4-oxadiazole-3-carboxylate
The XLogP value of 5.5 indicates that Methyl 5-(4-methylphenyl)-2,3-diphenyl-1,2,4-oxadiazole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.1 Ų, Methyl 5-(4-methylphenyl)-2,3-diphenyl-1,2,4-oxadiazole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 5-(4-methylphenyl)-2,3-diphenyl-1,2,4-oxadiazole-3-carboxylate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 5-(4-methylphenyl)-2,3-diphenyl-1,2,4-oxadiazole-3-carboxylate?
The CAS number of Methyl 5-(4-methylphenyl)-2,3-diphenyl-1,2,4-oxadiazole-3-carboxylate is 85653-73-2.
What is the molecular formula of Methyl 5-(4-methylphenyl)-2,3-diphenyl-1,2,4-oxadiazole-3-carboxylate?
The molecular formula of Methyl 5-(4-methylphenyl)-2,3-diphenyl-1,2,4-oxadiazole-3-carboxylate is C23H20N2O3.
What is the molecular weight of Methyl 5-(4-methylphenyl)-2,3-diphenyl-1,2,4-oxadiazole-3-carboxylate?
The molecular weight of Methyl 5-(4-methylphenyl)-2,3-diphenyl-1,2,4-oxadiazole-3-carboxylate is 372.15 g/mol.
Where can I buy Methyl 5-(4-methylphenyl)-2,3-diphenyl-1,2,4-oxadiazole-3-carboxylate?
You can request a quote for Methyl 5-(4-methylphenyl)-2,3-diphenyl-1,2,4-oxadiazole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-(4-methylphenyl)-2,3-diphenyl-1,2,4-oxadiazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-(4-methylphenyl)-2,3-diphenyl-1,2,4-oxadiazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.