Decyl isotridecyl phthalate
TL;DR: Decyl isotridecyl phthalate (CAS 98072-27-6) is a chemical compound with molecular formula C31H52O4 and molecular weight 488.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-O-decyl 2-O-(11-methyldodecyl) benzene-1,2-dicarboxylate
Also Known As: Decyl isotridecyl phthalate, decyl 11-methyldodecyl benzene-1,2-dicarboxylate, 1-O-decyl 2-O-(11-methyldodecyl) benzene-1,2-dicarboxylate, 308-478-5, EINECS 308-478-5
| Molecular Formula | C31H52O4 |
|---|---|
| Molecular Weight | 488.39 g/mol |
| LogP | 12.6 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 24 |
| Exact Mass | 488.38657 |
| Heavy Atoms | 35 |
| Complexity | 516.0 |
Chemical Identifiers
| CAS Number | 98072-27-6 |
|---|---|
| SMILES | CCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCCCC(C)C |
| InChIKey | BDXQRNJWNXJZFI-UHFFFAOYSA-N |
Product Overview
Decyl isotridecyl phthalate (CAS 98072-27-6), with molecular formula C31H52O4 and molecular weight 488.39 g/mol. IUPAC: 1-O-decyl 2-O-(11-methyldodecyl) benzene-1,2-dicarboxylate.
Chemical Property Profile of Decyl isotridecyl phthalate
Property Insights of Decyl isotridecyl phthalate
The XLogP value of 12.6 indicates that Decyl isotridecyl 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, Decyl isotridecyl phthalate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Decyl isotridecyl 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 Decyl isotridecyl phthalate?
The CAS number of Decyl isotridecyl phthalate is 98072-27-6.
What is the molecular formula of Decyl isotridecyl phthalate?
The molecular formula of Decyl isotridecyl phthalate is C31H52O4.
What is the molecular weight of Decyl isotridecyl phthalate?
The molecular weight of Decyl isotridecyl phthalate is 488.39 g/mol.
Where can I buy Decyl isotridecyl phthalate?
You can request a quote for Decyl isotridecyl phthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Decyl isotridecyl phthalate?
Yes, KEHONG BIO provides custom synthesis services for Decyl isotridecyl phthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.