Nonanoic acid, 1,1'-(2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl) ester
TL;DR: Nonanoic acid, 1,1'-(2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl) ester (CAS 15721-83-2) is a chemical compound with molecular formula C26H50O4 and molecular weight 426.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,2,4-trimethyl-3-nonanoyloxypentyl) nonanoate
Also Known As: 2,2,4-Trimethyl-1,3-pentanediol dipelargonate, 2,2,4-Trimethyl-1,3-pentanediol dinonanoate, (2,2,4-trimethyl-3-nonanoyloxypentyl) nonanoate, 2,2,4-Trimethylpentane-1,3-diyl dinonanoate, 2,2,4-Trimethyl-1,3-bis-nonanoyloxy-pentan
| Molecular Formula | C26H50O4 |
|---|---|
| Molecular Weight | 426.37 g/mol |
| LogP | 9.7 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 21 |
| Exact Mass | 426.3709 |
| Heavy Atoms | 30 |
| Complexity | 442.0 |
Chemical Identifiers
| CAS Number | 15721-83-2 |
|---|---|
| SMILES | CCCCCCCCC(=O)OCC(C)(C)C(C(C)C)OC(=O)CCCCCCCC |
| InChIKey | CYIXYIDXFMPPSQ-UHFFFAOYSA-N |
Product Overview
Nonanoic acid, 1,1'-(2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl) ester (CAS 15721-83-2), with molecular formula C26H50O4 and molecular weight 426.37 g/mol. IUPAC: (2,2,4-trimethyl-3-nonanoyloxypentyl) nonanoate.
Chemical Property Profile of Nonanoic acid, 1,1'-(2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl) ester
Property Insights of Nonanoic acid, 1,1'-(2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl) ester
The XLogP value of 9.7 indicates that Nonanoic acid, 1,1'-(2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Nonanoic acid, 1,1'-(2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nonanoic acid, 1,1'-(2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl) ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Nonanoic acid, 1,1'-(2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl) ester?
The CAS number of Nonanoic acid, 1,1'-(2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl) ester is 15721-83-2.
What is the molecular formula of Nonanoic acid, 1,1'-(2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl) ester?
The molecular formula of Nonanoic acid, 1,1'-(2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl) ester is C26H50O4.
What is the molecular weight of Nonanoic acid, 1,1'-(2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl) ester?
The molecular weight of Nonanoic acid, 1,1'-(2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl) ester is 426.37 g/mol.
Where can I buy Nonanoic acid, 1,1'-(2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl) ester?
You can request a quote for Nonanoic acid, 1,1'-(2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nonanoic acid, 1,1'-(2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Nonanoic acid, 1,1'-(2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.