Dihexyldecyl Adipate
TL;DR: Dihexyldecyl Adipate (CAS 57533-90-1) is a chemical compound with molecular formula C38H74O4 and molecular weight 594.56 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-hexyldecyl) hexanedioate
Also Known As: dihexyldecyl adipate, Diisocetyl adipate, Bis(2-hexyldecyl) adipate, bis(2-hexyldecyl) hexanedioate, Bis(2- hexyldecyl) adipate
| Molecular Formula | C38H74O4 |
|---|---|
| Molecular Weight | 594.56 g/mol |
| LogP | 15.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 35 |
| Exact Mass | 594.5587 |
| Heavy Atoms | 42 |
| Complexity | 525.0 |
Chemical Identifiers
| CAS Number | 57533-90-1 |
|---|---|
| SMILES | CCCCCCCCC(CCCCCC)COC(=O)CCCCC(=O)OCC(CCCCCC)CCCCCCCC |
| InChIKey | PPOZILIWLOFYOG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dihexyldecyl Adipate (CAS 57533-90-1), with molecular formula C38H74O4 and molecular weight 594.56 g/mol. IUPAC: bis(2-hexyldecyl) hexanedioate.
Chemical Property Profile of Dihexyldecyl Adipate
Property Insights of Dihexyldecyl Adipate
The XLogP value of 15.5 indicates that Dihexyldecyl 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, Dihexyldecyl Adipate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dihexyldecyl 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 Dihexyldecyl Adipate?
The CAS number of Dihexyldecyl Adipate is 57533-90-1.
What is the molecular formula of Dihexyldecyl Adipate?
The molecular formula of Dihexyldecyl Adipate is C38H74O4.
What is the molecular weight of Dihexyldecyl Adipate?
The molecular weight of Dihexyldecyl Adipate is 594.56 g/mol.
Where can I buy Dihexyldecyl Adipate?
You can request a quote for Dihexyldecyl Adipate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dihexyldecyl Adipate?
Yes, KEHONG BIO provides custom synthesis services for Dihexyldecyl Adipate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.