Methyl 5-(4-chlorophenyl)isoxazole-3-carboxylate
TL;DR: Methyl 5-(4-chlorophenyl)isoxazole-3-carboxylate (CAS 1072944-87-6) is a chemical compound with molecular formula C11H8ClNO3 and molecular weight 237.01927 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 5-(4-chlorophenyl)-1,2-oxazole-3-carboxylate
Also Known As: METHYL 5-(4-CHLOROPHENYL)ISOXAZOLE-3-CARBOXYLATE, methyl 5-(4-chlorophenyl)-1,2-oxazole-3-carboxylate, TimTec1_007783, IDI1_033437, BAS 06491647
Technical Specifications
| Molecular Formula | C11H8ClNO3 |
| Molecular Weight | 237.01927 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 52.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 237.01927 Da |
| Heavy Atoms | 16 |
| Complexity | 254.0 |
| SMILES | COC(=O)C1=NOC(=C1)C2=CC=C(C=C2)Cl |
| InChIKey | QDMSFKKRLBUFHN-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 5-(4-chlorophenyl)isoxazole-3-carboxylate
Property Insights of Methyl 5-(4-chlorophenyl)isoxazole-3-carboxylate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5-(4-chlorophenyl)isoxazole-3-carboxylate. With a topological polar surface area (TPSA) of 52.3 Ų, Methyl 5-(4-chlorophenyl)isoxazole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 5-(4-chlorophenyl)isoxazole-3-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
What is the CAS number of Methyl 5-(4-chlorophenyl)isoxazole-3-carboxylate?
The CAS number of Methyl 5-(4-chlorophenyl)isoxazole-3-carboxylate is 1072944-87-6.
What is the molecular formula of Methyl 5-(4-chlorophenyl)isoxazole-3-carboxylate?
The molecular formula of Methyl 5-(4-chlorophenyl)isoxazole-3-carboxylate is C11H8ClNO3.
What is the molecular weight of Methyl 5-(4-chlorophenyl)isoxazole-3-carboxylate?
The molecular weight of Methyl 5-(4-chlorophenyl)isoxazole-3-carboxylate is 237.01927 g/mol.
Where can I buy Methyl 5-(4-chlorophenyl)isoxazole-3-carboxylate?
You can request a quote for Methyl 5-(4-chlorophenyl)isoxazole-3-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 5-(4-chlorophenyl)isoxazole-3-carboxylate?
Yes, CoreyChem provides custom synthesis services for Methyl 5-(4-chlorophenyl)isoxazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.