Ethyl 4-(chloromethyl)-5-methylisoxazole-3-carboxylate
TL;DR: Ethyl 4-(chloromethyl)-5-methylisoxazole-3-carboxylate (CAS 886498-32-4) is a chemical compound with molecular formula C8H10ClNO3 and molecular weight 203.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(chloromethyl)-5-methyl-1,2-oxazole-3-carboxylate
Also Known As: ethyl 4-(chloromethyl)-5-methylisoxazole-3-carboxylate, ethyl 4-(chloromethyl)-5-methyl-1,2-oxazole-3-carboxylate, 4-Chloromethyl-5-methyl-isoxazole-3-carboxylic acid ethyl ester, ethyl4-(chloromethyl)-5-methylisoxazole-3-carboxylate, ethyl 4-(chloromethyl)-5-methyl-isoxazole-3-carboxylate
| Molecular Formula | C8H10ClNO3 |
|---|---|
| Molecular Weight | 203.03 g/mol |
| LogP | 1.89852 |
| Topological Polar Surface Area | 52.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 203.03493 |
| Heavy Atoms | 13 |
| Complexity | 308.33783 |
Chemical Identifiers
| CAS Number | 886498-32-4 |
|---|---|
| SMILES | CCOC(=O)C1=NOC(=C1CCl)C |
Product Overview
Ethyl 4-(chloromethyl)-5-methylisoxazole-3-carboxylate (CAS 886498-32-4), with molecular formula C8H10ClNO3 and molecular weight 203.03 g/mol. IUPAC: ethyl 4-(chloromethyl)-5-methyl-1,2-oxazole-3-carboxylate.
Chemical Property Profile of Ethyl 4-(chloromethyl)-5-methylisoxazole-3-carboxylate
Property Insights of Ethyl 4-(chloromethyl)-5-methylisoxazole-3-carboxylate
The XLogP value of 1.89852 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(chloromethyl)-5-methylisoxazole-3-carboxylate. With a topological polar surface area (TPSA) of 52.33 Ų, Ethyl 4-(chloromethyl)-5-methylisoxazole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-(chloromethyl)-5-methylisoxazole-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
Frequently Asked Questions
What is the CAS number of Ethyl 4-(chloromethyl)-5-methylisoxazole-3-carboxylate?
The CAS number of Ethyl 4-(chloromethyl)-5-methylisoxazole-3-carboxylate is 886498-32-4.
What is the molecular formula of Ethyl 4-(chloromethyl)-5-methylisoxazole-3-carboxylate?
The molecular formula of Ethyl 4-(chloromethyl)-5-methylisoxazole-3-carboxylate is C8H10ClNO3.
What is the molecular weight of Ethyl 4-(chloromethyl)-5-methylisoxazole-3-carboxylate?
The molecular weight of Ethyl 4-(chloromethyl)-5-methylisoxazole-3-carboxylate is 203.03 g/mol.
Where can I buy Ethyl 4-(chloromethyl)-5-methylisoxazole-3-carboxylate?
You can request a quote for Ethyl 4-(chloromethyl)-5-methylisoxazole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-(chloromethyl)-5-methylisoxazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(chloromethyl)-5-methylisoxazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.