Dioctyldodecyl Adipate
TL;DR: Dioctyldodecyl Adipate (CAS 85117-94-8) is a chemical compound with molecular formula C46H90O4 and molecular weight 706.68 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-octyldodecyl) hexanedioate
Also Known As: Dioctyldodecyl Adipate, Bis(2-octyldodecyl) adipate, MACKADERM DDA, DUB DODA, bis(2-octyldodecyl) hexanedioate
| Molecular Formula | C46H90O4 |
|---|---|
| Molecular Weight | 706.68 g/mol |
| LogP | 15.4284 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 41 |
| Exact Mass | 706.6839 |
| Heavy Atoms | 50 |
| Complexity | 633.63477 |
Chemical Identifiers
| CAS Number | 85117-94-8 |
|---|---|
| SMILES | CCCCCCCCCCC(CCCCCCCC)COC(=O)CCCCC(=O)OCC(CCCCCCCC)CCCCCCCCCC |
Product Overview
Dioctyldodecyl Adipate (CAS 85117-94-8), with molecular formula C46H90O4 and molecular weight 706.68 g/mol. IUPAC: bis(2-octyldodecyl) hexanedioate.
Chemical Property Profile of Dioctyldodecyl Adipate
Property Insights of Dioctyldodecyl Adipate
The XLogP value of 15.4284 indicates that Dioctyldodecyl 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, Dioctyldodecyl Adipate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dioctyldodecyl 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 Dioctyldodecyl Adipate?
The CAS number of Dioctyldodecyl Adipate is 85117-94-8.
What is the molecular formula of Dioctyldodecyl Adipate?
The molecular formula of Dioctyldodecyl Adipate is C46H90O4.
What is the molecular weight of Dioctyldodecyl Adipate?
The molecular weight of Dioctyldodecyl Adipate is 706.68 g/mol.
Where can I buy Dioctyldodecyl Adipate?
You can request a quote for Dioctyldodecyl Adipate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dioctyldodecyl Adipate?
Yes, KEHONG BIO provides custom synthesis services for Dioctyldodecyl Adipate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.