Methyl isoxazole-5-carboxylate
TL;DR: Methyl isoxazole-5-carboxylate (CAS 15055-81-9) is a chemical compound with molecular formula C5H5NO3 and molecular weight 127.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1,2-oxazole-5-carboxylate
Also Known As: Methyl isoxazole-5-carboxylate, methyl 1,2-oxazole-5-carboxylate, 5-Isoxazolecarboxylic acid, methyl ester, methyl 5-isoxazolcarboxylate, methyl 5-isoxazolcarboxylate;
| Molecular Formula | C5H5NO3 |
|---|---|
| Molecular Weight | 127.03 g/mol |
| LogP | 0.4612 |
| Topological Polar Surface Area | 52.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 127.02694 |
| Heavy Atoms | 9 |
| Complexity | 191.97784 |
Chemical Identifiers
| CAS Number | 15055-81-9 |
|---|---|
| SMILES | COC(=O)C1=CC=NO1 |
Product Overview
Methyl isoxazole-5-carboxylate (CAS 15055-81-9), with molecular formula C5H5NO3 and molecular weight 127.03 g/mol. IUPAC: methyl 1,2-oxazole-5-carboxylate.
Chemical Property Profile of Methyl isoxazole-5-carboxylate
Property Insights of Methyl isoxazole-5-carboxylate
The XLogP value of 0.4612 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl isoxazole-5-carboxylate. With a topological polar surface area (TPSA) of 52.33 Ų, Methyl isoxazole-5-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 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 isoxazole-5-carboxylate?
The CAS number of Methyl isoxazole-5-carboxylate is 15055-81-9.
What is the molecular formula of Methyl isoxazole-5-carboxylate?
The molecular formula of Methyl isoxazole-5-carboxylate is C5H5NO3.
What is the molecular weight of Methyl isoxazole-5-carboxylate?
The molecular weight of Methyl isoxazole-5-carboxylate is 127.03 g/mol.
Where can I buy Methyl isoxazole-5-carboxylate?
You can request a quote for Methyl 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 isoxazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl isoxazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.