Isotridecyl undecyl phthalate
TL;DR: Isotridecyl undecyl phthalate (CAS 98072-29-8) is a chemical compound with molecular formula C32H54O4 and molecular weight 502.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-O-(11-methyldodecyl) 1-O-undecyl benzene-1,2-dicarboxylate
Also Known As: Isotridecyl undecyl phthalate, 11-methyldodecyl undecyl benzene-1,2-dicarboxylate, 2-O-(11-methyldodecyl) 1-O-undecyl benzene-1,2-dicarboxylate, 308-480-6, EINECS 308-480-6
| Molecular Formula | C32H54O4 |
|---|---|
| Molecular Weight | 502.40 g/mol |
| LogP | 13.1 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 25 |
| Exact Mass | 502.40222 |
| Heavy Atoms | 36 |
| Complexity | 530.0 |
Chemical Identifiers
| CAS Number | 98072-29-8 |
|---|---|
| SMILES | CCCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCCCC(C)C |
| InChIKey | UDIHATRCBULOKW-UHFFFAOYSA-N |
Product Overview
Isotridecyl undecyl phthalate (CAS 98072-29-8), with molecular formula C32H54O4 and molecular weight 502.40 g/mol. IUPAC: 2-O-(11-methyldodecyl) 1-O-undecyl benzene-1,2-dicarboxylate.
Chemical Property Profile of Isotridecyl undecyl phthalate
Property Insights of Isotridecyl undecyl phthalate
The XLogP value of 13.1 indicates that Isotridecyl undecyl 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, Isotridecyl undecyl phthalate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isotridecyl undecyl 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 Isotridecyl undecyl phthalate?
The CAS number of Isotridecyl undecyl phthalate is 98072-29-8.
What is the molecular formula of Isotridecyl undecyl phthalate?
The molecular formula of Isotridecyl undecyl phthalate is C32H54O4.
What is the molecular weight of Isotridecyl undecyl phthalate?
The molecular weight of Isotridecyl undecyl phthalate is 502.40 g/mol.
Where can I buy Isotridecyl undecyl phthalate?
You can request a quote for Isotridecyl undecyl phthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isotridecyl undecyl phthalate?
Yes, KEHONG BIO provides custom synthesis services for Isotridecyl undecyl phthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.