![4-Ethoxycarbonylmethyl-tetrahydro-isoxazolo[2,3-b]isoxazole-2,3,5-tricarboxylic acid 3,5-diethyl ester 2-methyl ester structure](/static/products/1005/1005035-57-3.webp)
4-Ethoxycarbonylmethyl-tetrahydro-isoxazolo[2,3-b]isoxazole-2,3,5-tricarboxylic acid 3,5-diethyl ester 2-methyl ester
TL;DR: 4-Ethoxycarbonylmethyl-tetrahydro-isoxazolo[2,3-b]isoxazole-2,3,5-tricarboxylic acid 3,5-diethyl ester 2-methyl ester (CAS 1005035-57-3) is a chemical compound with molecular formula C17H25NO10 and molecular weight 403.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-O,4-O-diethyl 5-O-methyl 3-(2-ethoxy-2-oxoethyl)-3,3a,4,5-tetrahydro-2H-[1,2]oxazolo[2,3-b][1,2]oxazole-2,4,5-tricarboxylate
Also Known As: 4-Ethoxycarbonylmethyl-tetrahydro-isoxazolo[2,3-b]isoxazole-2,3,5-tricarboxylic acid 3,5-diethyl ester 2-methyl ester, 2-O,4-O-diethyl 5-O-methyl 3-(2-ethoxy-2-oxoethyl)-3,3a,4,5-tetrahydro-2H-[1,2]oxazolo[2,3-b][1,2]oxazole-2,4,5-tricarboxylate, 3,5-diethyl 2-methyl 4-(2-ethoxy-2-oxoethyl)tetrahydro-2H-[1,2]oxazolo[2,3-b][1,2]oxazole-2,3,5-tricarboxylate, 3,5-diethyl 2-methyl 4-(2-ethoxy-2-oxoethyl)tetrahydro-2H-isoxazolo[2,3-b]isoxazole-2,3,5-tricarboxylate, 4-Ethoxycarbonylmethyl-tetrahydro-isoxazolo[2,3-b]isoxazole-2,3,5-tricarboxylic acid 3,5-diethyl ester 2-methyl ester
| Molecular Formula | C17H25NO10 |
|---|---|
| Molecular Weight | 403.15 g/mol |
| LogP | -0.2306 |
| Topological Polar Surface Area | 126.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 403.14786 |
| Heavy Atoms | 28 |
| Complexity | 608.74554 |
Chemical Identifiers
| CAS Number | 1005035-57-3 |
|---|---|
| SMILES | CCOC(=O)CC1C2C(C(ON2OC1C(=O)OCC)C(=O)OC)C(=O)OCC |
Product Overview
4-Ethoxycarbonylmethyl-tetrahydro-isoxazolo[2,3-b]isoxazole-2,3,5-tricarboxylic acid 3,5-diethyl ester 2-methyl ester (CAS 1005035-57-3), with molecular formula C17H25NO10 and molecular weight 403.15 g/mol. IUPAC: 2-O,4-O-diethyl 5-O-methyl 3-(2-ethoxy-2-oxoethyl)-3,3a,4,5-tetrahydro-2H-[1,2]oxazolo[2,3-b][1,2]oxazole-2,4,5-tricarboxylate.
Chemical Property Profile of 4-Ethoxycarbonylmethyl-tetrahydro-isoxazolo[2,3-b]isoxazole-2,3,5-tricarboxylic acid 3,5-diethyl ester 2-methyl ester
Property Insights of 4-Ethoxycarbonylmethyl-tetrahydro-isoxazolo[2,3-b]isoxazole-2,3,5-tricarboxylic acid 3,5-diethyl ester 2-methyl ester
The XLogP value of -0.2306 indicates that 4-Ethoxycarbonylmethyl-tetrahydro-isoxazolo[2,3-b]isoxazole-2,3,5-tricarboxylic acid 3,5-diethyl ester 2-methyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 126.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Ethoxycarbonylmethyl-tetrahydro-isoxazolo[2,3-b]isoxazole-2,3,5-tricarboxylic acid 3,5-diethyl ester 2-methyl ester. Following Lipinski's Rule of Five, 4-Ethoxycarbonylmethyl-tetrahydro-isoxazolo[2,3-b]isoxazole-2,3,5-tricarboxylic acid 3,5-diethyl ester 2-methyl ester has 0 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Ethoxycarbonylmethyl-tetrahydro-isoxazolo[2,3-b]isoxazole-2,3,5-tricarboxylic acid 3,5-diethyl ester 2-methyl ester?
The CAS number of 4-Ethoxycarbonylmethyl-tetrahydro-isoxazolo[2,3-b]isoxazole-2,3,5-tricarboxylic acid 3,5-diethyl ester 2-methyl ester is 1005035-57-3.
What is the molecular formula of 4-Ethoxycarbonylmethyl-tetrahydro-isoxazolo[2,3-b]isoxazole-2,3,5-tricarboxylic acid 3,5-diethyl ester 2-methyl ester?
The molecular formula of 4-Ethoxycarbonylmethyl-tetrahydro-isoxazolo[2,3-b]isoxazole-2,3,5-tricarboxylic acid 3,5-diethyl ester 2-methyl ester is C17H25NO10.
What is the molecular weight of 4-Ethoxycarbonylmethyl-tetrahydro-isoxazolo[2,3-b]isoxazole-2,3,5-tricarboxylic acid 3,5-diethyl ester 2-methyl ester?
The molecular weight of 4-Ethoxycarbonylmethyl-tetrahydro-isoxazolo[2,3-b]isoxazole-2,3,5-tricarboxylic acid 3,5-diethyl ester 2-methyl ester is 403.15 g/mol.
Where can I buy 4-Ethoxycarbonylmethyl-tetrahydro-isoxazolo[2,3-b]isoxazole-2,3,5-tricarboxylic acid 3,5-diethyl ester 2-methyl ester?
You can request a quote for 4-Ethoxycarbonylmethyl-tetrahydro-isoxazolo[2,3-b]isoxazole-2,3,5-tricarboxylic acid 3,5-diethyl ester 2-methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Ethoxycarbonylmethyl-tetrahydro-isoxazolo[2,3-b]isoxazole-2,3,5-tricarboxylic acid 3,5-diethyl ester 2-methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Ethoxycarbonylmethyl-tetrahydro-isoxazolo[2,3-b]isoxazole-2,3,5-tricarboxylic acid 3,5-diethyl ester 2-methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.