Neopentyl Glycol Diethylhexanoate
TL;DR: Neopentyl Glycol Diethylhexanoate (CAS 28510-23-8) 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.
[3-(2-ethylhexanoyloxy)-2,2-dimethylpropyl] 2-ethylhexanoate
Also Known As: SCHERCEMOL NGDO, KAK-NDO, neopentyl glycol diethylhexanoate, NEOPENTYL GLYCOL DIOCTANOATE, COSMOL 525
| Molecular Formula | C21H40O4 |
|---|---|
| Molecular Weight | 356.29 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 16 |
| Exact Mass | 356.29266 |
| Heavy Atoms | 25 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 28510-23-8 |
|---|---|
| SMILES | CCCCC(CC)C(=O)OCC(C)(C)COC(=O)C(CC)CCCC |
| InChIKey | GORMSINSWZJIKL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Neopentyl Glycol Diethylhexanoate (CAS 28510-23-8), with molecular formula C21H40O4 and molecular weight 356.29 g/mol. IUPAC: [3-(2-ethylhexanoyloxy)-2,2-dimethylpropyl] 2-ethylhexanoate.
Chemical Property Profile of Neopentyl Glycol Diethylhexanoate
Property Insights of Neopentyl Glycol Diethylhexanoate
The XLogP value of 6.9 indicates that Neopentyl Glycol Diethylhexanoate 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 Diethylhexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Neopentyl Glycol Diethylhexanoate 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 Diethylhexanoate?
The CAS number of Neopentyl Glycol Diethylhexanoate is 28510-23-8.
What is the molecular formula of Neopentyl Glycol Diethylhexanoate?
The molecular formula of Neopentyl Glycol Diethylhexanoate is C21H40O4.
What is the molecular weight of Neopentyl Glycol Diethylhexanoate?
The molecular weight of Neopentyl Glycol Diethylhexanoate is 356.29 g/mol.
Where can I buy Neopentyl Glycol Diethylhexanoate?
You can request a quote for Neopentyl Glycol Diethylhexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Neopentyl Glycol Diethylhexanoate?
Yes, KEHONG BIO provides custom synthesis services for Neopentyl Glycol Diethylhexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.