Neopentyl Glycol Dicaprate
TL;DR: Neopentyl Glycol Dicaprate (CAS 27841-06-1) is a chemical compound with molecular formula C25H48O4 and molecular weight 412.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-decanoyloxy-2,2-dimethylpropyl) decanoate
Also Known As: Neopentyl glycol dicaprate, VISTANOL NPGC, DERMOL NGDC, Neopentyl glycol didecanoate, ESTEMOL N-01
| Molecular Formula | C25H48O4 |
|---|---|
| Molecular Weight | 412.36 g/mol |
| LogP | 9.3 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 22 |
| Exact Mass | 412.35526 |
| Heavy Atoms | 29 |
| Complexity | 368.0 |
Chemical Identifiers
| CAS Number | 27841-06-1 |
|---|---|
| SMILES | CCCCCCCCCC(=O)OCC(C)(C)COC(=O)CCCCCCCCC |
| InChIKey | BJDAUCLANVMIOB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Neopentyl Glycol Dicaprate (CAS 27841-06-1), with molecular formula C25H48O4 and molecular weight 412.36 g/mol. IUPAC: (3-decanoyloxy-2,2-dimethylpropyl) decanoate.
Chemical Property Profile of Neopentyl Glycol Dicaprate
Property Insights of Neopentyl Glycol Dicaprate
The XLogP value of 9.3 indicates that Neopentyl Glycol Dicaprate 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 Dicaprate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Neopentyl Glycol Dicaprate 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 Dicaprate?
The CAS number of Neopentyl Glycol Dicaprate is 27841-06-1.
What is the molecular formula of Neopentyl Glycol Dicaprate?
The molecular formula of Neopentyl Glycol Dicaprate is C25H48O4.
What is the molecular weight of Neopentyl Glycol Dicaprate?
The molecular weight of Neopentyl Glycol Dicaprate is 412.36 g/mol.
Where can I buy Neopentyl Glycol Dicaprate?
You can request a quote for Neopentyl Glycol Dicaprate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Neopentyl Glycol Dicaprate?
Yes, KEHONG BIO provides custom synthesis services for Neopentyl Glycol Dicaprate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.