Ethyl 3-(1,3-dioxolan-2-ylmethyl)-4,5-dihydroisoxazole-5-carboxylate
TL;DR: Ethyl 3-(1,3-dioxolan-2-ylmethyl)-4,5-dihydroisoxazole-5-carboxylate (CAS 695191-75-4) is a chemical compound with molecular formula C10H15NO5 and molecular weight 229.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(1,3-dioxolan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxylate
Also Known As: TimTec1_006138, ZERO/001891, ethyl 3-(1,3-dioxolan-2-ylmethyl)-4,5-dihydroisoxazole-5-carboxylate, ethyl 3-(1,3-dioxolan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxylate, Ethyl 3-(1,3-dioxolan-2-ylmethyl)-4,5-dihydro-5-isoxazolecarboxylate
| Molecular Formula | C10H15NO5 |
|---|---|
| Molecular Weight | 229.10 g/mol |
| LogP | 0.4574 |
| Topological Polar Surface Area | 66.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 229.09502 |
| Heavy Atoms | 16 |
| Complexity | 284.934 |
Chemical Identifiers
| CAS Number | 695191-75-4 |
|---|---|
| SMILES | CCOC(=O)C1CC(=NO1)CC2OCCO2 |
Product Overview
Ethyl 3-(1,3-dioxolan-2-ylmethyl)-4,5-dihydroisoxazole-5-carboxylate (CAS 695191-75-4), with molecular formula C10H15NO5 and molecular weight 229.10 g/mol. IUPAC: ethyl 3-(1,3-dioxolan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxylate.
Chemical Property Profile of Ethyl 3-(1,3-dioxolan-2-ylmethyl)-4,5-dihydroisoxazole-5-carboxylate
Property Insights of Ethyl 3-(1,3-dioxolan-2-ylmethyl)-4,5-dihydroisoxazole-5-carboxylate
The XLogP value of 0.4574 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-(1,3-dioxolan-2-ylmethyl)-4,5-dihydroisoxazole-5-carboxylate. The TPSA of 66.35 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-(1,3-dioxolan-2-ylmethyl)-4,5-dihydroisoxazole-5-carboxylate. Following Lipinski's Rule of Five, Ethyl 3-(1,3-dioxolan-2-ylmethyl)-4,5-dihydroisoxazole-5-carboxylate has 0 hydrogen bond donor(s) and 6 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 3-(1,3-dioxolan-2-ylmethyl)-4,5-dihydroisoxazole-5-carboxylate?
The CAS number of Ethyl 3-(1,3-dioxolan-2-ylmethyl)-4,5-dihydroisoxazole-5-carboxylate is 695191-75-4.
What is the molecular formula of Ethyl 3-(1,3-dioxolan-2-ylmethyl)-4,5-dihydroisoxazole-5-carboxylate?
The molecular formula of Ethyl 3-(1,3-dioxolan-2-ylmethyl)-4,5-dihydroisoxazole-5-carboxylate is C10H15NO5.
What is the molecular weight of Ethyl 3-(1,3-dioxolan-2-ylmethyl)-4,5-dihydroisoxazole-5-carboxylate?
The molecular weight of Ethyl 3-(1,3-dioxolan-2-ylmethyl)-4,5-dihydroisoxazole-5-carboxylate is 229.10 g/mol.
Where can I buy Ethyl 3-(1,3-dioxolan-2-ylmethyl)-4,5-dihydroisoxazole-5-carboxylate?
You can request a quote for Ethyl 3-(1,3-dioxolan-2-ylmethyl)-4,5-dihydroisoxazole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(1,3-dioxolan-2-ylmethyl)-4,5-dihydroisoxazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(1,3-dioxolan-2-ylmethyl)-4,5-dihydroisoxazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.