Heptyl octadec-9-enoate
TL;DR: Heptyl octadec-9-enoate (CAS 42254-63-7) is a chemical compound with molecular formula C25H48O2 and molecular weight 380.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
heptyl octadec-9-enoate
Also Known As: 9-Octadecenoic acid(9Z)-, heptyl ester
| Molecular Formula | C25H48O2 |
|---|---|
| Molecular Weight | 380.37 g/mol |
| LogP | 10.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 22 |
| Exact Mass | 380.36542 |
| Heavy Atoms | 27 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 42254-63-7 |
|---|---|
| SMILES | CCCCCCCCC=CCCCCCCCC(=O)OCCCCCCC |
| InChIKey | XSCIEKYDPGHXMD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Heptyl octadec-9-enoate (CAS 42254-63-7), with molecular formula C25H48O2 and molecular weight 380.37 g/mol. IUPAC: heptyl octadec-9-enoate.
Chemical Property Profile of Heptyl octadec-9-enoate
Property Insights of Heptyl octadec-9-enoate
The XLogP value of 10.5 indicates that Heptyl 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, Heptyl octadec-9-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptyl 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 Heptyl octadec-9-enoate?
The CAS number of Heptyl octadec-9-enoate is 42254-63-7.
What is the molecular formula of Heptyl octadec-9-enoate?
The molecular formula of Heptyl octadec-9-enoate is C25H48O2.
What is the molecular weight of Heptyl octadec-9-enoate?
The molecular weight of Heptyl octadec-9-enoate is 380.37 g/mol.
Where can I buy Heptyl octadec-9-enoate?
You can request a quote for Heptyl 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 Heptyl octadec-9-enoate?
Yes, KEHONG BIO provides custom synthesis services for Heptyl octadec-9-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.