Nonyl undecyl phthalate
TL;DR: Nonyl undecyl phthalate (CAS 111381-91-0) is a chemical compound with molecular formula C28H46O4 and molecular weight 446.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-O-nonyl 2-O-undecyl benzene-1,2-dicarboxylate
Also Known As: Nonyl undecyl phthalate, nonylundecylphthalat, nonylundecylphthalate, starbld0010423, n-nonyl n-undecyl phthalate
| Molecular Formula | C28H46O4 |
|---|---|
| Molecular Weight | 446.34 g/mol |
| LogP | 8.2816 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 20 |
| Exact Mass | 446.3396 |
| Heavy Atoms | 32 |
| Complexity | 611.2049 |
Chemical Identifiers
| CAS Number | 111381-91-0 |
|---|---|
| SMILES | CCCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCC |
Product Overview
Nonyl undecyl phthalate (CAS 111381-91-0), with molecular formula C28H46O4 and molecular weight 446.34 g/mol. IUPAC: 1-O-nonyl 2-O-undecyl benzene-1,2-dicarboxylate.
Chemical Property Profile of Nonyl undecyl phthalate
Property Insights of Nonyl undecyl phthalate
The XLogP value of 8.2816 indicates that Nonyl 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, Nonyl undecyl phthalate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nonyl 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 Nonyl undecyl phthalate?
The CAS number of Nonyl undecyl phthalate is 111381-91-0.
What is the molecular formula of Nonyl undecyl phthalate?
The molecular formula of Nonyl undecyl phthalate is C28H46O4.
What is the molecular weight of Nonyl undecyl phthalate?
The molecular weight of Nonyl undecyl phthalate is 446.34 g/mol.
Where can I buy Nonyl undecyl phthalate?
You can request a quote for Nonyl undecyl phthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nonyl undecyl phthalate?
Yes, KEHONG BIO provides custom synthesis services for Nonyl undecyl phthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.