Heptanoic acid, 1,1'-(oxybis(methyl-2,1-ethanediyl)) ester
TL;DR: Heptanoic acid, 1,1'-(oxybis(methyl-2,1-ethanediyl)) ester (CAS 68444-35-9) is a chemical compound with molecular formula C20H38O5 and molecular weight 358.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-heptanoyloxypropoxy)propan-2-yl heptanoate
Also Known As: Dipropylene glycol, diheptanoate, Dipropylene glycol diheptanoate, EINECS 270-595-1, 2,2'-Oxybis(methylethyl) bisheptanoate, Heptanoic acid, 2,2'-oxybis(methylethyl) ester
| Molecular Formula | C20H38O5 |
|---|---|
| Molecular Weight | 358.27 g/mol |
| LogP | 4.8072 |
| Topological Polar Surface Area | 61.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 16 |
| Exact Mass | 358.2719 |
| Heavy Atoms | 25 |
| Complexity | 310.9782 |
Chemical Identifiers
| CAS Number | 68444-35-9 |
|---|---|
| SMILES | CCCCCCC(=O)OC(C)COCC(C)OC(=O)CCCCCC |
Product Overview
Heptanoic acid, 1,1'-(oxybis(methyl-2,1-ethanediyl)) ester (CAS 68444-35-9), with molecular formula C20H38O5 and molecular weight 358.27 g/mol. IUPAC: 1-(2-heptanoyloxypropoxy)propan-2-yl heptanoate.
Chemical Property Profile of Heptanoic acid, 1,1'-(oxybis(methyl-2,1-ethanediyl)) ester
Property Insights of Heptanoic acid, 1,1'-(oxybis(methyl-2,1-ethanediyl)) ester
The XLogP value of 4.8072 indicates that Heptanoic acid, 1,1'-(oxybis(methyl-2,1-ethanediyl)) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.83 Ų falls within the moderate polarity range, balancing permeability and solubility for Heptanoic acid, 1,1'-(oxybis(methyl-2,1-ethanediyl)) ester. Following Lipinski's Rule of Five, Heptanoic acid, 1,1'-(oxybis(methyl-2,1-ethanediyl)) ester has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Heptanoic acid, 1,1'-(oxybis(methyl-2,1-ethanediyl)) ester?
The CAS number of Heptanoic acid, 1,1'-(oxybis(methyl-2,1-ethanediyl)) ester is 68444-35-9.
What is the molecular formula of Heptanoic acid, 1,1'-(oxybis(methyl-2,1-ethanediyl)) ester?
The molecular formula of Heptanoic acid, 1,1'-(oxybis(methyl-2,1-ethanediyl)) ester is C20H38O5.
What is the molecular weight of Heptanoic acid, 1,1'-(oxybis(methyl-2,1-ethanediyl)) ester?
The molecular weight of Heptanoic acid, 1,1'-(oxybis(methyl-2,1-ethanediyl)) ester is 358.27 g/mol.
Where can I buy Heptanoic acid, 1,1'-(oxybis(methyl-2,1-ethanediyl)) ester?
You can request a quote for Heptanoic acid, 1,1'-(oxybis(methyl-2,1-ethanediyl)) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptanoic acid, 1,1'-(oxybis(methyl-2,1-ethanediyl)) ester?
Yes, KEHONG BIO provides custom synthesis services for Heptanoic acid, 1,1'-(oxybis(methyl-2,1-ethanediyl)) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.