Dioctadecyl adipate
TL;DR: Dioctadecyl adipate (CAS 1119-74-0) is a chemical compound with molecular formula C42H82O4 and molecular weight 650.62 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dioctadecyl hexanedioate
Also Known As: Dioctadecyl adipate, dioctadecyl hexanedioate, Dioctadecyladiapat, Hexanedioic acid, dioctadecyl ester, Adipic acid, dioctadecyl ester
| Molecular Formula | C42H82O4 |
|---|---|
| Molecular Weight | 650.62 g/mol |
| LogP | 18.3 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 41 |
| Exact Mass | 650.62134 |
| Heavy Atoms | 46 |
| Complexity | 552.0 |
Chemical Identifiers
| CAS Number | 1119-74-0 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCCCCCCCCCCC |
| InChIKey | GYFBKUFUJKHFLZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dioctadecyl adipate (CAS 1119-74-0), with molecular formula C42H82O4 and molecular weight 650.62 g/mol. IUPAC: dioctadecyl hexanedioate.
Chemical Property Profile of Dioctadecyl adipate
Property Insights of Dioctadecyl adipate
The XLogP value of 18.3 indicates that Dioctadecyl adipate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Dioctadecyl adipate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dioctadecyl adipate 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 Dioctadecyl adipate?
The CAS number of Dioctadecyl adipate is 1119-74-0.
What is the molecular formula of Dioctadecyl adipate?
The molecular formula of Dioctadecyl adipate is C42H82O4.
What is the molecular weight of Dioctadecyl adipate?
The molecular weight of Dioctadecyl adipate is 650.62 g/mol.
Where can I buy Dioctadecyl adipate?
You can request a quote for Dioctadecyl adipate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dioctadecyl adipate?
Yes, KEHONG BIO provides custom synthesis services for Dioctadecyl adipate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.