4-(2-Ethoxy-2-oxoethyl)-3,5-bis(ethoxycarbonyl)-4,5-dihydroisoxazole 2-oxide
TL;DR: 4-(2-Ethoxy-2-oxoethyl)-3,5-bis(ethoxycarbonyl)-4,5-dihydroisoxazole 2-oxide (CAS 362601-40-9) is a chemical compound with molecular formula C13H19NO8 and molecular weight 317.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 4-(2-ethoxy-2-oxoethyl)-2-oxido-4,5-dihydro-1,2-oxazol-2-ium-3,5-dicarboxylate
Also Known As: BAS 01276962, 4-(2-ethoxy-2-oxoethyl)-3,5-bis(ethoxycarbonyl)-4,5-dihydroisoxazole 2-oxide, diethyl 4-(2-ethoxy-2-oxoethyl)-2-oxido-4,5-dihydro-1,2-oxazol-2-ium-3,5-dicarboxylate, diethyl 4-(2-ethoxy-2-oxoethyl)-4,5-dihydro-1,2-oxazole-3,5-dicarboxylate 2-oxide, 4-(2-ETHOXY-2-OXOETHYL)-3,5-BIS(ETHOXYCARBONYL)-4,5-DIHYDRO-1,2-OXAZOL-2-IUM-2-OLATE
| Molecular Formula | C13H19NO8 |
|---|---|
| Molecular Weight | 317.11 g/mol |
| LogP | -0.0529 |
| Topological Polar Surface Area | 114.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 317.11105 |
| Heavy Atoms | 22 |
| Complexity | 472.66055 |
Chemical Identifiers
| CAS Number | 362601-40-9 |
|---|---|
| SMILES | CCOC(=O)CC1C(O[N+](=C1C(=O)OCC)[O-])C(=O)OCC |
Product Overview
4-(2-Ethoxy-2-oxoethyl)-3,5-bis(ethoxycarbonyl)-4,5-dihydroisoxazole 2-oxide (CAS 362601-40-9), with molecular formula C13H19NO8 and molecular weight 317.11 g/mol. IUPAC: diethyl 4-(2-ethoxy-2-oxoethyl)-2-oxido-4,5-dihydro-1,2-oxazol-2-ium-3,5-dicarboxylate.
Chemical Property Profile of 4-(2-Ethoxy-2-oxoethyl)-3,5-bis(ethoxycarbonyl)-4,5-dihydroisoxazole 2-oxide
Property Insights of 4-(2-Ethoxy-2-oxoethyl)-3,5-bis(ethoxycarbonyl)-4,5-dihydroisoxazole 2-oxide
The XLogP value of -0.0529 indicates that 4-(2-Ethoxy-2-oxoethyl)-3,5-bis(ethoxycarbonyl)-4,5-dihydroisoxazole 2-oxide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 114.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-Ethoxy-2-oxoethyl)-3,5-bis(ethoxycarbonyl)-4,5-dihydroisoxazole 2-oxide. Following Lipinski's Rule of Five, 4-(2-Ethoxy-2-oxoethyl)-3,5-bis(ethoxycarbonyl)-4,5-dihydroisoxazole 2-oxide has 0 hydrogen bond donor(s) and 8 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 4-(2-Ethoxy-2-oxoethyl)-3,5-bis(ethoxycarbonyl)-4,5-dihydroisoxazole 2-oxide?
The CAS number of 4-(2-Ethoxy-2-oxoethyl)-3,5-bis(ethoxycarbonyl)-4,5-dihydroisoxazole 2-oxide is 362601-40-9.
What is the molecular formula of 4-(2-Ethoxy-2-oxoethyl)-3,5-bis(ethoxycarbonyl)-4,5-dihydroisoxazole 2-oxide?
The molecular formula of 4-(2-Ethoxy-2-oxoethyl)-3,5-bis(ethoxycarbonyl)-4,5-dihydroisoxazole 2-oxide is C13H19NO8.
What is the molecular weight of 4-(2-Ethoxy-2-oxoethyl)-3,5-bis(ethoxycarbonyl)-4,5-dihydroisoxazole 2-oxide?
The molecular weight of 4-(2-Ethoxy-2-oxoethyl)-3,5-bis(ethoxycarbonyl)-4,5-dihydroisoxazole 2-oxide is 317.11 g/mol.
Where can I buy 4-(2-Ethoxy-2-oxoethyl)-3,5-bis(ethoxycarbonyl)-4,5-dihydroisoxazole 2-oxide?
You can request a quote for 4-(2-Ethoxy-2-oxoethyl)-3,5-bis(ethoxycarbonyl)-4,5-dihydroisoxazole 2-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Ethoxy-2-oxoethyl)-3,5-bis(ethoxycarbonyl)-4,5-dihydroisoxazole 2-oxide?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Ethoxy-2-oxoethyl)-3,5-bis(ethoxycarbonyl)-4,5-dihydroisoxazole 2-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.