Methyl 3-benzyl-5-phenyl-3H-1,2,4-dioxazole-3-carboxylate
TL;DR: Methyl 3-benzyl-5-phenyl-3H-1,2,4-dioxazole-3-carboxylate (CAS 64686-54-0) is a chemical compound with molecular formula C17H15NO4 and molecular weight 297.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-benzyl-5-phenyl-1,2,4-dioxazole-3-carboxylate
Also Known As: Methyl 3-benzyl-5-phenyl-3H-1,2,4-dioxazole-3-carboxylate, methyl 3-benzyl-5-phenyl-1,2,4-dioxazole-3-carboxylate, 3-benzyl-3-methoxycarbonyl-5-phenyl-1,2,4-dioxazole, 3H-1,2,4-Dioxazole-3-carboxylicacid, 5-phenyl-3-(phenylmethyl)-, methyl ester, 3H-1,2,4-Dioxazole-3-carboxylic acid, 5-phenyl-3-(phenylmethyl)-, methyl ester
| Molecular Formula | C17H15NO4 |
|---|---|
| Molecular Weight | 297.10 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 57.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 297.1001 |
| Heavy Atoms | 22 |
| Complexity | 424.0 |
Chemical Identifiers
| CAS Number | 64686-54-0 |
|---|---|
| SMILES | COC(=O)C1(N=C(OO1)C2=CC=CC=C2)CC3=CC=CC=C3 |
| InChIKey | JBYWPAJNSNZGIU-UHFFFAOYSA-N |
Product Overview
Methyl 3-benzyl-5-phenyl-3H-1,2,4-dioxazole-3-carboxylate (CAS 64686-54-0), with molecular formula C17H15NO4 and molecular weight 297.10 g/mol. IUPAC: methyl 3-benzyl-5-phenyl-1,2,4-dioxazole-3-carboxylate.
Chemical Property Profile of Methyl 3-benzyl-5-phenyl-3H-1,2,4-dioxazole-3-carboxylate
Property Insights of Methyl 3-benzyl-5-phenyl-3H-1,2,4-dioxazole-3-carboxylate
The XLogP value of 3.5 indicates that Methyl 3-benzyl-5-phenyl-3H-1,2,4-dioxazole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.1 Ų, Methyl 3-benzyl-5-phenyl-3H-1,2,4-dioxazole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-benzyl-5-phenyl-3H-1,2,4-dioxazole-3-carboxylate 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 3-benzyl-5-phenyl-3H-1,2,4-dioxazole-3-carboxylate?
The CAS number of Methyl 3-benzyl-5-phenyl-3H-1,2,4-dioxazole-3-carboxylate is 64686-54-0.
What is the molecular formula of Methyl 3-benzyl-5-phenyl-3H-1,2,4-dioxazole-3-carboxylate?
The molecular formula of Methyl 3-benzyl-5-phenyl-3H-1,2,4-dioxazole-3-carboxylate is C17H15NO4.
What is the molecular weight of Methyl 3-benzyl-5-phenyl-3H-1,2,4-dioxazole-3-carboxylate?
The molecular weight of Methyl 3-benzyl-5-phenyl-3H-1,2,4-dioxazole-3-carboxylate is 297.10 g/mol.
Where can I buy Methyl 3-benzyl-5-phenyl-3H-1,2,4-dioxazole-3-carboxylate?
You can request a quote for Methyl 3-benzyl-5-phenyl-3H-1,2,4-dioxazole-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 3-benzyl-5-phenyl-3H-1,2,4-dioxazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-benzyl-5-phenyl-3H-1,2,4-dioxazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.