Ethyl 5-(hydroxymethyl)isoxazole-3-carboxylate
TL;DR: Ethyl 5-(hydroxymethyl)isoxazole-3-carboxylate (CAS 123770-62-7) is a chemical compound with molecular formula C7H9NO4 and molecular weight 171.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(hydroxymethyl)-1,2-oxazole-3-carboxylate
Also Known As: ethyl 5-(hydroxymethyl)isoxazole-3-carboxylate, ethyl 5-(hydroxymethyl)-1,2-oxazole-3-carboxylate, 3-Isoxazolecarboxylic acid, 5-(hydroxymethyl)-, ethyl ester, ethyl 5-(hydroxymethyl)-isoxazole-3-carboxylate, ethyl 5-hydroxymethylisoxazole-3-carboxylate
| Molecular Formula | C7H9NO4 |
|---|---|
| Molecular Weight | 171.05 g/mol |
| LogP | 0.3436 |
| Topological Polar Surface Area | 72.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 171.05316 |
| Heavy Atoms | 12 |
| Complexity | 268.12503 |
Chemical Identifiers
| CAS Number | 123770-62-7 |
|---|---|
| SMILES | CCOC(=O)C1=NOC(=C1)CO |
Product Overview
Ethyl 5-(hydroxymethyl)isoxazole-3-carboxylate (CAS 123770-62-7), with molecular formula C7H9NO4 and molecular weight 171.05 g/mol. IUPAC: ethyl 5-(hydroxymethyl)-1,2-oxazole-3-carboxylate.
Chemical Property Profile of Ethyl 5-(hydroxymethyl)isoxazole-3-carboxylate
Property Insights of Ethyl 5-(hydroxymethyl)isoxazole-3-carboxylate
The XLogP value of 0.3436 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-(hydroxymethyl)isoxazole-3-carboxylate. The TPSA of 72.56 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-(hydroxymethyl)isoxazole-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 5-(hydroxymethyl)isoxazole-3-carboxylate has 1 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 Ethyl 5-(hydroxymethyl)isoxazole-3-carboxylate?
The CAS number of Ethyl 5-(hydroxymethyl)isoxazole-3-carboxylate is 123770-62-7.
What is the molecular formula of Ethyl 5-(hydroxymethyl)isoxazole-3-carboxylate?
The molecular formula of Ethyl 5-(hydroxymethyl)isoxazole-3-carboxylate is C7H9NO4.
What is the molecular weight of Ethyl 5-(hydroxymethyl)isoxazole-3-carboxylate?
The molecular weight of Ethyl 5-(hydroxymethyl)isoxazole-3-carboxylate is 171.05 g/mol.
Where can I buy Ethyl 5-(hydroxymethyl)isoxazole-3-carboxylate?
You can request a quote for Ethyl 5-(hydroxymethyl)isoxazole-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 5-(hydroxymethyl)isoxazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-(hydroxymethyl)isoxazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.