3-Methylbutyl octadec-9-enoate
TL;DR: 3-Methylbutyl octadec-9-enoate (CAS 627-89-4) is a chemical compound with molecular formula C23H44O2 and molecular weight 352.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylbutyl octadec-9-enoate
Also Known As: Isopentyloleat, isoamyl oleate, Isopentyl oleate, Oleate d'isopentyle, Oleato de isopentilo
| Molecular Formula | C23H44O2 |
|---|---|
| Molecular Weight | 352.33 g/mol |
| LogP | 9.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 19 |
| Exact Mass | 352.33414 |
| Heavy Atoms | 25 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 627-89-4 |
|---|---|
| SMILES | CCCCCCCCC=CCCCCCCCC(=O)OCCC(C)C |
| InChIKey | PHUSOTFVZQDLMC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methylbutyl octadec-9-enoate (CAS 627-89-4), with molecular formula C23H44O2 and molecular weight 352.33 g/mol. IUPAC: 3-methylbutyl octadec-9-enoate.
Chemical Property Profile of 3-Methylbutyl octadec-9-enoate
Property Insights of 3-Methylbutyl octadec-9-enoate
The XLogP value of 9.3 indicates that 3-Methylbutyl octadec-9-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Methylbutyl octadec-9-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylbutyl octadec-9-enoate 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 3-Methylbutyl octadec-9-enoate?
The CAS number of 3-Methylbutyl octadec-9-enoate is 627-89-4.
What is the molecular formula of 3-Methylbutyl octadec-9-enoate?
The molecular formula of 3-Methylbutyl octadec-9-enoate is C23H44O2.
What is the molecular weight of 3-Methylbutyl octadec-9-enoate?
The molecular weight of 3-Methylbutyl octadec-9-enoate is 352.33 g/mol.
Where can I buy 3-Methylbutyl octadec-9-enoate?
You can request a quote for 3-Methylbutyl octadec-9-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylbutyl octadec-9-enoate?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylbutyl octadec-9-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.