Butyl 2,14-dimethyl-4,12-dioxo-3,5,8,11,13-pentaoxaicosan-1-oate
TL;DR: Butyl 2,14-dimethyl-4,12-dioxo-3,5,8,11,13-pentaoxaicosan-1-oate (CAS 58073-87-3) is a chemical compound with molecular formula C21H38O9 and molecular weight 434.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2-[2-(2-octan-2-yloxycarbonyloxyethoxy)ethoxycarbonyloxy]propanoate
Also Known As: benzoic acid,3-ethoxy-4-iodo-,ethyl ester, butyl 2,14-dimethyl-4,12-dioxo-3,5,8,11,13-pentaoxaicosan-1-oate, BIS(2-HYDROXYETHYL) ETHER, DICARBONATE, 1-METHYLHEPTYL ESTER, butyl 2-[2-(2-octan-2-yloxycarbonyloxyethoxy)ethoxycarbonyloxy]propanoate, BIS(2-HYDROXYETHYL) ETHER, 1-METHYLHEPTYL ESTER, ESTER WITH BUTYL LACTATE
| Molecular Formula | C21H38O9 |
|---|---|
| Molecular Weight | 434.25 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 22 |
| Exact Mass | 434.2516 |
| Heavy Atoms | 30 |
| Complexity | 467.0 |
Chemical Identifiers
| CAS Number | 58073-87-3 |
|---|---|
| SMILES | CCCCCCC(C)OC(=O)OCCOCCOC(=O)OC(C)C(=O)OCCCC |
| InChIKey | HMOZXRZWMUOFNJ-UHFFFAOYSA-N |
Product Overview
Butyl 2,14-dimethyl-4,12-dioxo-3,5,8,11,13-pentaoxaicosan-1-oate (CAS 58073-87-3), with molecular formula C21H38O9 and molecular weight 434.25 g/mol. IUPAC: butyl 2-[2-(2-octan-2-yloxycarbonyloxyethoxy)ethoxycarbonyloxy]propanoate.
Chemical Property Profile of Butyl 2,14-dimethyl-4,12-dioxo-3,5,8,11,13-pentaoxaicosan-1-oate
Property Insights of Butyl 2,14-dimethyl-4,12-dioxo-3,5,8,11,13-pentaoxaicosan-1-oate
The XLogP value of 5.5 indicates that Butyl 2,14-dimethyl-4,12-dioxo-3,5,8,11,13-pentaoxaicosan-1-oate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyl 2,14-dimethyl-4,12-dioxo-3,5,8,11,13-pentaoxaicosan-1-oate. Following Lipinski's Rule of Five, Butyl 2,14-dimethyl-4,12-dioxo-3,5,8,11,13-pentaoxaicosan-1-oate has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Butyl 2,14-dimethyl-4,12-dioxo-3,5,8,11,13-pentaoxaicosan-1-oate?
The CAS number of Butyl 2,14-dimethyl-4,12-dioxo-3,5,8,11,13-pentaoxaicosan-1-oate is 58073-87-3.
What is the molecular formula of Butyl 2,14-dimethyl-4,12-dioxo-3,5,8,11,13-pentaoxaicosan-1-oate?
The molecular formula of Butyl 2,14-dimethyl-4,12-dioxo-3,5,8,11,13-pentaoxaicosan-1-oate is C21H38O9.
What is the molecular weight of Butyl 2,14-dimethyl-4,12-dioxo-3,5,8,11,13-pentaoxaicosan-1-oate?
The molecular weight of Butyl 2,14-dimethyl-4,12-dioxo-3,5,8,11,13-pentaoxaicosan-1-oate is 434.25 g/mol.
Where can I buy Butyl 2,14-dimethyl-4,12-dioxo-3,5,8,11,13-pentaoxaicosan-1-oate?
You can request a quote for Butyl 2,14-dimethyl-4,12-dioxo-3,5,8,11,13-pentaoxaicosan-1-oate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 2,14-dimethyl-4,12-dioxo-3,5,8,11,13-pentaoxaicosan-1-oate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 2,14-dimethyl-4,12-dioxo-3,5,8,11,13-pentaoxaicosan-1-oate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.