Dioctyl dodecanedioate
TL;DR: Dioctyl dodecanedioate (CAS 42233-97-6) is a chemical compound with molecular formula C28H54O4 and molecular weight 454.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dioctyl dodecanedioate
Also Known As: Dioctyl dodecanedioate, EINECS 255-732-5, Dodecanedioic Acid Dioctyl Ester, 1,12-DIOCTYL DODECANEDIOATE
| Molecular Formula | C28H54O4 |
|---|---|
| Molecular Weight | 454.40 g/mol |
| LogP | 8.6948 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 25 |
| Exact Mass | 454.40222 |
| Heavy Atoms | 32 |
| Complexity | 370.23654 |
Chemical Identifiers
| CAS Number | 42233-97-6 |
|---|---|
| SMILES | CCCCCCCCOC(=O)CCCCCCCCCCC(=O)OCCCCCCCC |
Product Overview
Dioctyl dodecanedioate (CAS 42233-97-6), with molecular formula C28H54O4 and molecular weight 454.40 g/mol. IUPAC: dioctyl dodecanedioate.
Chemical Property Profile of Dioctyl dodecanedioate
Property Insights of Dioctyl dodecanedioate
The XLogP value of 8.6948 indicates that Dioctyl dodecanedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Dioctyl dodecanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dioctyl dodecanedioate 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 Dioctyl dodecanedioate?
The CAS number of Dioctyl dodecanedioate is 42233-97-6.
What is the molecular formula of Dioctyl dodecanedioate?
The molecular formula of Dioctyl dodecanedioate is C28H54O4.
What is the molecular weight of Dioctyl dodecanedioate?
The molecular weight of Dioctyl dodecanedioate is 454.40 g/mol.
Where can I buy Dioctyl dodecanedioate?
You can request a quote for Dioctyl dodecanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dioctyl dodecanedioate?
Yes, KEHONG BIO provides custom synthesis services for Dioctyl dodecanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.