Neodecanoic acid, hexadecyl ester
TL;DR: Neodecanoic acid, hexadecyl ester (CAS 88338-00-5) is a chemical compound with molecular formula C26H52O2 and molecular weight 396.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexadecyl 2,2-dimethyloctanoate
Also Known As: Hexanate D, Hexadecyl neodecanoate, Neodecanoic acid, hexadecyl ester, hexadecyl 2,2-dimethyloctanoate, Octanoic acid, 2,2-dimethyl-, hexadecyl ester
| Molecular Formula | C26H52O2 |
|---|---|
| Molecular Weight | 396.40 g/mol |
| LogP | 9.0075 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 21 |
| Exact Mass | 396.39673 |
| Heavy Atoms | 28 |
| Complexity | 335.32452 |
Chemical Identifiers
| CAS Number | 88338-00-5 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCOC(=O)C(C)(C)CCCCCC |
Product Overview
Neodecanoic acid, hexadecyl ester (CAS 88338-00-5), with molecular formula C26H52O2 and molecular weight 396.40 g/mol. IUPAC: hexadecyl 2,2-dimethyloctanoate.
Chemical Property Profile of Neodecanoic acid, hexadecyl ester
Property Insights of Neodecanoic acid, hexadecyl ester
The XLogP value of 9.0075 indicates that Neodecanoic acid, hexadecyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Neodecanoic acid, hexadecyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Neodecanoic acid, hexadecyl ester has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Neodecanoic acid, hexadecyl ester?
The CAS number of Neodecanoic acid, hexadecyl ester is 88338-00-5.
What is the molecular formula of Neodecanoic acid, hexadecyl ester?
The molecular formula of Neodecanoic acid, hexadecyl ester is C26H52O2.
What is the molecular weight of Neodecanoic acid, hexadecyl ester?
The molecular weight of Neodecanoic acid, hexadecyl ester is 396.40 g/mol.
Where can I buy Neodecanoic acid, hexadecyl ester?
You can request a quote for Neodecanoic acid, hexadecyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Neodecanoic acid, hexadecyl ester?
Yes, KEHONG BIO provides custom synthesis services for Neodecanoic acid, hexadecyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.