Dioctyl 2,14-dimethyl-4,12-dioxo-3,5,8,11,13-pentaoxapentadecane-1,15-dioate
TL;DR: Dioctyl 2,14-dimethyl-4,12-dioxo-3,5,8,11,13-pentaoxapentadecane-1,15-dioate (CAS 59745-40-3) is a chemical compound with molecular formula C28H50O11 and molecular weight 562.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octyl 2-[2-[2-(1-octoxy-1-oxopropan-2-yl)oxycarbonyloxyethoxy]ethoxycarbonyloxy]propanoate
Also Known As: dioctyl 2,14-dimethyl-4,12-dioxo-3,5,8,11,13-pentaoxapentadecane-1,15-dioate, BIS(2-HYDROXYETHYL)ETHER, DIESTER WITH OCTYL LACTATE, octyl 2-[2-[2-(1-octoxy-1-oxopropan-2-yl)oxycarbonyloxyethoxy]ethoxycarbonyloxy]propanoate, 2-(2-(2-(1-octyloxycarbonyl-ethoxycarbonyloxy)-ethoxy)-ethoxycarbonyloxy)-propionic acid octyl ester, RefChem:338875
| Molecular Formula | C28H50O11 |
|---|---|
| Molecular Weight | 562.34 g/mol |
| LogP | 8.1 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 30 |
| Exact Mass | 562.3353 |
| Heavy Atoms | 39 |
| Complexity | 599.0 |
Chemical Identifiers
| CAS Number | 59745-40-3 |
|---|---|
| SMILES | CCCCCCCCOC(=O)C(C)OC(=O)OCCOCCOC(=O)OC(C)C(=O)OCCCCCCCC |
| InChIKey | SITNPSJMUSBRBF-UHFFFAOYSA-N |
Product Overview
Dioctyl 2,14-dimethyl-4,12-dioxo-3,5,8,11,13-pentaoxapentadecane-1,15-dioate (CAS 59745-40-3), with molecular formula C28H50O11 and molecular weight 562.34 g/mol. IUPAC: octyl 2-[2-[2-(1-octoxy-1-oxopropan-2-yl)oxycarbonyloxyethoxy]ethoxycarbonyloxy]propanoate.
Chemical Property Profile of Dioctyl 2,14-dimethyl-4,12-dioxo-3,5,8,11,13-pentaoxapentadecane-1,15-dioate
Property Insights of Dioctyl 2,14-dimethyl-4,12-dioxo-3,5,8,11,13-pentaoxapentadecane-1,15-dioate
The XLogP value of 8.1 indicates that Dioctyl 2,14-dimethyl-4,12-dioxo-3,5,8,11,13-pentaoxapentadecane-1,15-dioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dioctyl 2,14-dimethyl-4,12-dioxo-3,5,8,11,13-pentaoxapentadecane-1,15-dioate. Following Lipinski's Rule of Five, Dioctyl 2,14-dimethyl-4,12-dioxo-3,5,8,11,13-pentaoxapentadecane-1,15-dioate 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 Dioctyl 2,14-dimethyl-4,12-dioxo-3,5,8,11,13-pentaoxapentadecane-1,15-dioate?
The CAS number of Dioctyl 2,14-dimethyl-4,12-dioxo-3,5,8,11,13-pentaoxapentadecane-1,15-dioate is 59745-40-3.
What is the molecular formula of Dioctyl 2,14-dimethyl-4,12-dioxo-3,5,8,11,13-pentaoxapentadecane-1,15-dioate?
The molecular formula of Dioctyl 2,14-dimethyl-4,12-dioxo-3,5,8,11,13-pentaoxapentadecane-1,15-dioate is C28H50O11.
What is the molecular weight of Dioctyl 2,14-dimethyl-4,12-dioxo-3,5,8,11,13-pentaoxapentadecane-1,15-dioate?
The molecular weight of Dioctyl 2,14-dimethyl-4,12-dioxo-3,5,8,11,13-pentaoxapentadecane-1,15-dioate is 562.34 g/mol.
Where can I buy Dioctyl 2,14-dimethyl-4,12-dioxo-3,5,8,11,13-pentaoxapentadecane-1,15-dioate?
You can request a quote for Dioctyl 2,14-dimethyl-4,12-dioxo-3,5,8,11,13-pentaoxapentadecane-1,15-dioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dioctyl 2,14-dimethyl-4,12-dioxo-3,5,8,11,13-pentaoxapentadecane-1,15-dioate?
Yes, KEHONG BIO provides custom synthesis services for Dioctyl 2,14-dimethyl-4,12-dioxo-3,5,8,11,13-pentaoxapentadecane-1,15-dioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.