2-methoxyethyl 6,19-dimethyl-5,8,17-trioxo-2,7,9,12,13,16,18-heptaoxaicosan-20-oate
TL;DR: 2-methoxyethyl 6,19-dimethyl-5,8,17-trioxo-2,7,9,12,13,16,18-heptaoxaicosan-20-oate (CAS 58472-52-9) is a chemical compound with molecular formula C18H30O13 and molecular weight 454.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxyethyl 2-[2-[2-(5-methoxy-3-oxopentan-2-yl)oxycarbonyloxyethylperoxy]ethoxycarbonyloxy]propanoate
Also Known As: 2-methoxyethyl 6,19-dimethyl-5,8,17-trioxo-2,7,9,12,13,16,18-heptaoxaicosan-20-oate, 2-methoxyethyl 2-[2-[2-(5-methoxy-3-oxopentan-2-yl)oxycarbon, 2-methoxyethyl 2-[2-[2-(5-methoxy-3-oxopentan-2-yl)oxycarbonyloxyethylperoxy]ethoxycarbonyloxy]propanoate, BIS(2-HYDROXYETHYL)ETHER, DIESTER WITH 2-METHOXYETHYL LACTATE
| Molecular Formula | C18H30O13 |
|---|---|
| Molecular Weight | 454.17 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 151.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 22 |
| Exact Mass | 454.16864 |
| Heavy Atoms | 31 |
| Complexity | 537.0 |
Chemical Identifiers
| CAS Number | 58472-52-9 |
|---|---|
| SMILES | CC(C(=O)CCOC)OC(=O)OCCOOCCOC(=O)OC(C)C(=O)OCCOC |
| InChIKey | GAOHQRSUXXFLNI-UHFFFAOYSA-N |
Product Overview
2-methoxyethyl 6,19-dimethyl-5,8,17-trioxo-2,7,9,12,13,16,18-heptaoxaicosan-20-oate (CAS 58472-52-9), with molecular formula C18H30O13 and molecular weight 454.17 g/mol. IUPAC: 2-methoxyethyl 2-[2-[2-(5-methoxy-3-oxopentan-2-yl)oxycarbonyloxyethylperoxy]ethoxycarbonyloxy]propanoate.
Chemical Property Profile of 2-methoxyethyl 6,19-dimethyl-5,8,17-trioxo-2,7,9,12,13,16,18-heptaoxaicosan-20-oate
Property Insights of 2-methoxyethyl 6,19-dimethyl-5,8,17-trioxo-2,7,9,12,13,16,18-heptaoxaicosan-20-oate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-methoxyethyl 6,19-dimethyl-5,8,17-trioxo-2,7,9,12,13,16,18-heptaoxaicosan-20-oate. The TPSA of 151.0 Ų indicates high polarity, suggesting 2-methoxyethyl 6,19-dimethyl-5,8,17-trioxo-2,7,9,12,13,16,18-heptaoxaicosan-20-oate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-methoxyethyl 6,19-dimethyl-5,8,17-trioxo-2,7,9,12,13,16,18-heptaoxaicosan-20-oate has 0 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-methoxyethyl 6,19-dimethyl-5,8,17-trioxo-2,7,9,12,13,16,18-heptaoxaicosan-20-oate?
The CAS number of 2-methoxyethyl 6,19-dimethyl-5,8,17-trioxo-2,7,9,12,13,16,18-heptaoxaicosan-20-oate is 58472-52-9.
What is the molecular formula of 2-methoxyethyl 6,19-dimethyl-5,8,17-trioxo-2,7,9,12,13,16,18-heptaoxaicosan-20-oate?
The molecular formula of 2-methoxyethyl 6,19-dimethyl-5,8,17-trioxo-2,7,9,12,13,16,18-heptaoxaicosan-20-oate is C18H30O13.
What is the molecular weight of 2-methoxyethyl 6,19-dimethyl-5,8,17-trioxo-2,7,9,12,13,16,18-heptaoxaicosan-20-oate?
The molecular weight of 2-methoxyethyl 6,19-dimethyl-5,8,17-trioxo-2,7,9,12,13,16,18-heptaoxaicosan-20-oate is 454.17 g/mol.
Where can I buy 2-methoxyethyl 6,19-dimethyl-5,8,17-trioxo-2,7,9,12,13,16,18-heptaoxaicosan-20-oate?
You can request a quote for 2-methoxyethyl 6,19-dimethyl-5,8,17-trioxo-2,7,9,12,13,16,18-heptaoxaicosan-20-oate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-methoxyethyl 6,19-dimethyl-5,8,17-trioxo-2,7,9,12,13,16,18-heptaoxaicosan-20-oate?
Yes, KEHONG BIO provides custom synthesis services for 2-methoxyethyl 6,19-dimethyl-5,8,17-trioxo-2,7,9,12,13,16,18-heptaoxaicosan-20-oate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.