bis(2-methylpropyl) 2,14-dimethyl-4,12-dioxo-3,5,8,11,13-pentaoxapentadecane-1,15-dioate
TL;DR: bis(2-methylpropyl) 2,14-dimethyl-4,12-dioxo-3,5,8,11,13-pentaoxapentadecane-1,15-dioate (CAS 5987-97-3) is a chemical compound with molecular formula C20H34O11 and molecular weight 450.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl 2-[2-[2-[1-(2-methylpropoxy)-1-oxopropan-2-yl]oxycarbonyloxyethoxy]ethoxycarbonyloxy]propanoate
Also Known As: bis(2-methylpropyl) 2,14-dimethyl-4,12-dioxo-3,5,8,11,13-pentaoxapentadecane-1,15-dioate, BIS(2-HYDROXYETHYL)ETHER, DIESTER WITH ISOBUTYL LACTATE, BIS(2-HYDROXYETHYL)ETHER, DICARBONATE, DIESTER WITH ISOBUTYL, BIS(2-HYDROXYETHYL)ETHER, DICARBONATE, DIESTER WITH ISOBUTYL LACTATE, diethylene glycol-O.O-dicarboxylic acid bis-(1-carboisobutyloxy-ethyl ester)
| Molecular Formula | C20H34O11 |
|---|---|
| Molecular Weight | 450.21 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 20 |
| Exact Mass | 450.2101 |
| Heavy Atoms | 31 |
| Complexity | 511.0 |
Chemical Identifiers
| CAS Number | 5987-97-3 |
|---|---|
| SMILES | CC(C)COC(=O)C(C)OC(=O)OCCOCCOC(=O)OC(C)C(=O)OCC(C)C |
| InChIKey | VKEHFQFKLMGRNI-UHFFFAOYSA-N |
Product Overview
bis(2-methylpropyl) 2,14-dimethyl-4,12-dioxo-3,5,8,11,13-pentaoxapentadecane-1,15-dioate (CAS 5987-97-3), with molecular formula C20H34O11 and molecular weight 450.21 g/mol. IUPAC: 2-methylpropyl 2-[2-[2-[1-(2-methylpropoxy)-1-oxopropan-2-yl]oxycarbonyloxyethoxy]ethoxycarbonyloxy]propanoate.
Chemical Property Profile of bis(2-methylpropyl) 2,14-dimethyl-4,12-dioxo-3,5,8,11,13-pentaoxapentadecane-1,15-dioate
Property Insights of bis(2-methylpropyl) 2,14-dimethyl-4,12-dioxo-3,5,8,11,13-pentaoxapentadecane-1,15-dioate
The XLogP value of 4.0 indicates that bis(2-methylpropyl) 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 bis(2-methylpropyl) 2,14-dimethyl-4,12-dioxo-3,5,8,11,13-pentaoxapentadecane-1,15-dioate. Following Lipinski's Rule of Five, bis(2-methylpropyl) 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 bis(2-methylpropyl) 2,14-dimethyl-4,12-dioxo-3,5,8,11,13-pentaoxapentadecane-1,15-dioate?
The CAS number of bis(2-methylpropyl) 2,14-dimethyl-4,12-dioxo-3,5,8,11,13-pentaoxapentadecane-1,15-dioate is 5987-97-3.
What is the molecular formula of bis(2-methylpropyl) 2,14-dimethyl-4,12-dioxo-3,5,8,11,13-pentaoxapentadecane-1,15-dioate?
The molecular formula of bis(2-methylpropyl) 2,14-dimethyl-4,12-dioxo-3,5,8,11,13-pentaoxapentadecane-1,15-dioate is C20H34O11.
What is the molecular weight of bis(2-methylpropyl) 2,14-dimethyl-4,12-dioxo-3,5,8,11,13-pentaoxapentadecane-1,15-dioate?
The molecular weight of bis(2-methylpropyl) 2,14-dimethyl-4,12-dioxo-3,5,8,11,13-pentaoxapentadecane-1,15-dioate is 450.21 g/mol.
Where can I buy bis(2-methylpropyl) 2,14-dimethyl-4,12-dioxo-3,5,8,11,13-pentaoxapentadecane-1,15-dioate?
You can request a quote for bis(2-methylpropyl) 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 bis(2-methylpropyl) 2,14-dimethyl-4,12-dioxo-3,5,8,11,13-pentaoxapentadecane-1,15-dioate?
Yes, KEHONG BIO provides custom synthesis services for bis(2-methylpropyl) 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.