Isohexadecanoic acid, 1,1'-(2,2-dimethyl-1,3-propanediyl) ester
TL;DR: Isohexadecanoic acid, 1,1'-(2,2-dimethyl-1,3-propanediyl) ester (CAS 68957-80-2) is a chemical compound with molecular formula C37H72O4 and molecular weight 580.54 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,2-dimethyl-3-(14-methylpentadecanoyloxy)propyl] 14-methylpentadecanoate
Also Known As: Neopentyl diisopalmitate, Neopentyl glycol diisopalmitate, 2,2-Dimethyl-1,3-propanediyl diisohexadecanoate, 2,2-dimethylpropane-1,3-diyl bis(14-methylpentadecanoate), 2,2-dimethyl-1,3-propanediyldiisohexadecanoate
| Molecular Formula | C37H72O4 |
|---|---|
| Molecular Weight | 580.54 g/mol |
| LogP | 15.3 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 32 |
| Exact Mass | 580.5431 |
| Heavy Atoms | 41 |
| Complexity | 546.0 |
Chemical Identifiers
| CAS Number | 68957-80-2 |
|---|---|
| SMILES | CC(C)CCCCCCCCCCCCC(=O)OCC(C)(C)COC(=O)CCCCCCCCCCCCC(C)C |
| InChIKey | HQMSGQNZOKIETL-UHFFFAOYSA-N |
Product Overview
Isohexadecanoic acid, 1,1'-(2,2-dimethyl-1,3-propanediyl) ester (CAS 68957-80-2), with molecular formula C37H72O4 and molecular weight 580.54 g/mol. IUPAC: [2,2-dimethyl-3-(14-methylpentadecanoyloxy)propyl] 14-methylpentadecanoate.
Chemical Property Profile of Isohexadecanoic acid, 1,1'-(2,2-dimethyl-1,3-propanediyl) ester
Property Insights of Isohexadecanoic acid, 1,1'-(2,2-dimethyl-1,3-propanediyl) ester
The XLogP value of 15.3 indicates that Isohexadecanoic acid, 1,1'-(2,2-dimethyl-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, Isohexadecanoic acid, 1,1'-(2,2-dimethyl-1,3-propanediyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isohexadecanoic acid, 1,1'-(2,2-dimethyl-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 Isohexadecanoic acid, 1,1'-(2,2-dimethyl-1,3-propanediyl) ester?
The CAS number of Isohexadecanoic acid, 1,1'-(2,2-dimethyl-1,3-propanediyl) ester is 68957-80-2.
What is the molecular formula of Isohexadecanoic acid, 1,1'-(2,2-dimethyl-1,3-propanediyl) ester?
The molecular formula of Isohexadecanoic acid, 1,1'-(2,2-dimethyl-1,3-propanediyl) ester is C37H72O4.
What is the molecular weight of Isohexadecanoic acid, 1,1'-(2,2-dimethyl-1,3-propanediyl) ester?
The molecular weight of Isohexadecanoic acid, 1,1'-(2,2-dimethyl-1,3-propanediyl) ester is 580.54 g/mol.
Where can I buy Isohexadecanoic acid, 1,1'-(2,2-dimethyl-1,3-propanediyl) ester?
You can request a quote for Isohexadecanoic acid, 1,1'-(2,2-dimethyl-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 Isohexadecanoic acid, 1,1'-(2,2-dimethyl-1,3-propanediyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Isohexadecanoic acid, 1,1'-(2,2-dimethyl-1,3-propanediyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.