1-Methylheptyl stearate
TL;DR: 1-Methylheptyl stearate (CAS 626-30-2) is a chemical compound with molecular formula C26H52O2 and molecular weight 396.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octan-2-yl octadecanoate
Also Known As: 1-Methylheptyl stearate, octan-2-yl octadecanoate, 1-methylheptylstearate, 1-methylheptyl octadecanoate, Stearic acid 1-methylheptyl ester
| Molecular Formula | C26H52O2 |
|---|---|
| Molecular Weight | 396.40 g/mol |
| LogP | 11.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 23 |
| Exact Mass | 396.39673 |
| Heavy Atoms | 28 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 626-30-2 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OC(C)CCCCCC |
| InChIKey | OMJRVNYAQYMXFR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Methylheptyl stearate (CAS 626-30-2), with molecular formula C26H52O2 and molecular weight 396.40 g/mol. IUPAC: octan-2-yl octadecanoate.
Chemical Property Profile of 1-Methylheptyl stearate
Property Insights of 1-Methylheptyl stearate
The XLogP value of 11.8 indicates that 1-Methylheptyl stearate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 1-Methylheptyl stearate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methylheptyl stearate 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 1-Methylheptyl stearate?
The CAS number of 1-Methylheptyl stearate is 626-30-2.
What is the molecular formula of 1-Methylheptyl stearate?
The molecular formula of 1-Methylheptyl stearate is C26H52O2.
What is the molecular weight of 1-Methylheptyl stearate?
The molecular weight of 1-Methylheptyl stearate is 396.40 g/mol.
Where can I buy 1-Methylheptyl stearate?
You can request a quote for 1-Methylheptyl stearate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methylheptyl stearate?
Yes, KEHONG BIO provides custom synthesis services for 1-Methylheptyl stearate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.