Undecyl benzoate
TL;DR: Undecyl benzoate (CAS 69986-36-3) is a chemical compound with molecular formula C18H28O2 and molecular weight 276.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
undecyl benzoate
Also Known As: Undecyl benzoate, benzoyloxyundecan, Undecyl benzoate #, 1-Undecanol,benzoate, Benzoic acid, undecyl ester
| Molecular Formula | C18H28O2 |
|---|---|
| Molecular Weight | 276.21 g/mol |
| LogP | 7.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 12 |
| Exact Mass | 276.20892 |
| Heavy Atoms | 20 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 69986-36-3 |
|---|---|
| SMILES | CCCCCCCCCCCOC(=O)C1=CC=CC=C1 |
| InChIKey | YEHGKFOTJWYCBN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Undecyl benzoate (CAS 69986-36-3), with molecular formula C18H28O2 and molecular weight 276.21 g/mol. IUPAC: undecyl benzoate.
Chemical Property Profile of Undecyl benzoate
Property Insights of Undecyl benzoate
The XLogP value of 7.3 indicates that Undecyl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Undecyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Undecyl benzoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Undecyl benzoate?
The CAS number of Undecyl benzoate is 69986-36-3.
What is the molecular formula of Undecyl benzoate?
The molecular formula of Undecyl benzoate is C18H28O2.
What is the molecular weight of Undecyl benzoate?
The molecular weight of Undecyl benzoate is 276.21 g/mol.
Where can I buy Undecyl benzoate?
You can request a quote for Undecyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Undecyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for Undecyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.