Isopropyl undecylenate
TL;DR: Isopropyl undecylenate (CAS 5459-98-3) is a chemical compound with molecular formula C14H26O2 and molecular weight 226.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl undec-10-enoate
Also Known As: isopropyl undecylenate, Isopropyl 10-undecenate, propan-2-yl undec-10-enoate, Isopropyl undec-10-enoate, Isopropyl 10-undecenoate
| Molecular Formula | C14H26O2 |
|---|---|
| Molecular Weight | 226.19 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Exact Mass | 226.19328 |
| Heavy Atoms | 16 |
| Complexity | 185.0 |
Chemical Identifiers
| CAS Number | 5459-98-3 |
|---|---|
| SMILES | CC(C)OC(=O)CCCCCCCCC=C |
| InChIKey | SJMKHCGKNIXLKH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isopropyl undecylenate (CAS 5459-98-3), with molecular formula C14H26O2 and molecular weight 226.19 g/mol. IUPAC: propan-2-yl undec-10-enoate.
Chemical Property Profile of Isopropyl undecylenate
Property Insights of Isopropyl undecylenate
The XLogP value of 5.0 indicates that Isopropyl undecylenate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Isopropyl undecylenate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyl undecylenate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isopropyl undecylenate?
The CAS number of Isopropyl undecylenate is 5459-98-3.
What is the molecular formula of Isopropyl undecylenate?
The molecular formula of Isopropyl undecylenate is C14H26O2.
What is the molecular weight of Isopropyl undecylenate?
The molecular weight of Isopropyl undecylenate is 226.19 g/mol.
Where can I buy Isopropyl undecylenate?
You can request a quote for Isopropyl undecylenate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl undecylenate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl undecylenate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.