Neopentyl glycol dicaprylate
TL;DR: Neopentyl glycol dicaprylate (CAS 51833-72-8) is a chemical compound with molecular formula C21H40O4 and molecular weight 356.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,2-dimethyl-3-octanoyloxypropyl) octanoate
Also Known As: Neopentyl glycol dicaprylate, neopentylglycol dioctanoate, Neopentylglycoldicaprylate, NEOPENTYL GLYCOL DIOCTANOATE, 2,2-Dimethyl-1,3-propanediyl dioctanoate
| Molecular Formula | C21H40O4 |
|---|---|
| Molecular Weight | 356.29 g/mol |
| LogP | 7.2 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 18 |
| Exact Mass | 356.29266 |
| Heavy Atoms | 25 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 51833-72-8 |
|---|---|
| SMILES | CCCCCCCC(=O)OCC(C)(C)COC(=O)CCCCCCC |
| InChIKey | WFXHUBZUIFLWCV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Neopentyl glycol dicaprylate (CAS 51833-72-8), with molecular formula C21H40O4 and molecular weight 356.29 g/mol. IUPAC: (2,2-dimethyl-3-octanoyloxypropyl) octanoate.
Chemical Property Profile of Neopentyl glycol dicaprylate
Property Insights of Neopentyl glycol dicaprylate
The XLogP value of 7.2 indicates that Neopentyl glycol dicaprylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Neopentyl glycol dicaprylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Neopentyl glycol dicaprylate 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 Neopentyl glycol dicaprylate?
The CAS number of Neopentyl glycol dicaprylate is 51833-72-8.
What is the molecular formula of Neopentyl glycol dicaprylate?
The molecular formula of Neopentyl glycol dicaprylate is C21H40O4.
What is the molecular weight of Neopentyl glycol dicaprylate?
The molecular weight of Neopentyl glycol dicaprylate is 356.29 g/mol.
Where can I buy Neopentyl glycol dicaprylate?
You can request a quote for Neopentyl glycol dicaprylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Neopentyl glycol dicaprylate?
Yes, KEHONG BIO provides custom synthesis services for Neopentyl glycol dicaprylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.