Diisoundecyl phthalate
TL;DR: Diisoundecyl phthalate (CAS 500282-16-6) is a chemical compound with molecular formula C30H50O4 and molecular weight 474.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(9-methyldecyl) benzene-1,2-dicarboxylate
Also Known As: Diisoundecyl phthalate, diisoundecylphthalate, Diisoundecyl phthalic acid, Bis(9-methyldecyl) phthalate, bis(9-methyldecyl) benzene-1,2-dicarboxylate
| Molecular Formula | C30H50O4 |
|---|---|
| Molecular Weight | 474.37 g/mol |
| LogP | 11.7 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 22 |
| Exact Mass | 474.3709 |
| Heavy Atoms | 34 |
| Complexity | 468.0 |
Chemical Identifiers
| CAS Number | 500282-16-6 |
|---|---|
| SMILES | CC(C)CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCC(C)C |
| InChIKey | LGBAGUMSAPUZPU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diisoundecyl phthalate (CAS 500282-16-6), with molecular formula C30H50O4 and molecular weight 474.37 g/mol. IUPAC: bis(9-methyldecyl) benzene-1,2-dicarboxylate.
Chemical Property Profile of Diisoundecyl phthalate
Property Insights of Diisoundecyl phthalate
The XLogP value of 11.7 indicates that Diisoundecyl phthalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Diisoundecyl phthalate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diisoundecyl phthalate 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 Diisoundecyl phthalate?
The CAS number of Diisoundecyl phthalate is 500282-16-6.
What is the molecular formula of Diisoundecyl phthalate?
The molecular formula of Diisoundecyl phthalate is C30H50O4.
What is the molecular weight of Diisoundecyl phthalate?
The molecular weight of Diisoundecyl phthalate is 474.37 g/mol.
Where can I buy Diisoundecyl phthalate?
You can request a quote for Diisoundecyl phthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diisoundecyl phthalate?
Yes, KEHONG BIO provides custom synthesis services for Diisoundecyl phthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.