Diisononyl dodecanedioate
TL;DR: Diisononyl dodecanedioate (CAS 63003-34-9) is a chemical compound with molecular formula C30H58O4 and molecular weight 482.43 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(7-methyloctyl) dodecanedioate
Also Known As: Diisononyl dodecanedioate, bis(7-methyloctyl) dodecanedioate, EINECS 263-784-5, Dodecanedioic acid, diisononyl ester, Dodecanedioic acid,diisononyl ester (9CI)
| Molecular Formula | C30H58O4 |
|---|---|
| Molecular Weight | 482.43 g/mol |
| LogP | 9.1868 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 25 |
| Exact Mass | 482.4335 |
| Heavy Atoms | 34 |
| Complexity | 416.72168 |
Chemical Identifiers
| CAS Number | 63003-34-9 |
|---|---|
| SMILES | CC(C)CCCCCCOC(=O)CCCCCCCCCCC(=O)OCCCCCCC(C)C |
Product Overview
Diisononyl dodecanedioate (CAS 63003-34-9), with molecular formula C30H58O4 and molecular weight 482.43 g/mol. IUPAC: bis(7-methyloctyl) dodecanedioate.
Chemical Property Profile of Diisononyl dodecanedioate
Property Insights of Diisononyl dodecanedioate
The XLogP value of 9.1868 indicates that Diisononyl 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, Diisononyl dodecanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diisononyl 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 Diisononyl dodecanedioate?
The CAS number of Diisononyl dodecanedioate is 63003-34-9.
What is the molecular formula of Diisononyl dodecanedioate?
The molecular formula of Diisononyl dodecanedioate is C30H58O4.
What is the molecular weight of Diisononyl dodecanedioate?
The molecular weight of Diisononyl dodecanedioate is 482.43 g/mol.
Where can I buy Diisononyl dodecanedioate?
You can request a quote for Diisononyl dodecanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diisononyl dodecanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diisononyl dodecanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.