Methyl 3-(p-tolyl)isoxazole-5-carboxylate
TL;DR: Methyl 3-(p-tolyl)isoxazole-5-carboxylate (CAS 134378-94-2) is a chemical compound with molecular formula C12H11NO3 and molecular weight 217.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(4-methylphenyl)-1,2-oxazole-5-carboxylate
Also Known As: Methyl 3-(p-tolyl)isoxazole-5-carboxylate, methyl 3-(4-methylphenyl)-1,2-oxazole-5-carboxylate, methyl 3-(4-methylphenyl)-5-isoxazolecarboxylate, 5-Isoxazolecarboxylic acid, 3-(4-methylphenyl)-, methyl ester, BAS 03213395
| Molecular Formula | C12H11NO3 |
|---|---|
| Molecular Weight | 217.07 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 217.0739 |
| Heavy Atoms | 16 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 134378-94-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NOC(=C2)C(=O)OC |
| InChIKey | DQKLNXNTMSKHBC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3-(p-tolyl)isoxazole-5-carboxylate (CAS 134378-94-2), with molecular formula C12H11NO3 and molecular weight 217.07 g/mol. IUPAC: methyl 3-(4-methylphenyl)-1,2-oxazole-5-carboxylate.
Chemical Property Profile of Methyl 3-(p-tolyl)isoxazole-5-carboxylate
Property Insights of Methyl 3-(p-tolyl)isoxazole-5-carboxylate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(p-tolyl)isoxazole-5-carboxylate. With a topological polar surface area (TPSA) of 52.3 Ų, Methyl 3-(p-tolyl)isoxazole-5-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-(p-tolyl)isoxazole-5-carboxylate has 0 hydrogen bond donor(s) and 4 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-(p-tolyl)isoxazole-5-carboxylate?
The CAS number of Methyl 3-(p-tolyl)isoxazole-5-carboxylate is 134378-94-2.
What is the molecular formula of Methyl 3-(p-tolyl)isoxazole-5-carboxylate?
The molecular formula of Methyl 3-(p-tolyl)isoxazole-5-carboxylate is C12H11NO3.
What is the molecular weight of Methyl 3-(p-tolyl)isoxazole-5-carboxylate?
The molecular weight of Methyl 3-(p-tolyl)isoxazole-5-carboxylate is 217.07 g/mol.
Where can I buy Methyl 3-(p-tolyl)isoxazole-5-carboxylate?
You can request a quote for Methyl 3-(p-tolyl)isoxazole-5-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-(p-tolyl)isoxazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(p-tolyl)isoxazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.