Octapentacontane
TL;DR: Octapentacontane (CAS 7667-78-9) is a chemical compound with molecular formula C58H118 and molecular weight 814.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octapentacontane
Also Known As: octapentacontane, Octapentacontane, analytical standard, J1.702.958D, 1-acetylamino-2-benzo[1,3]dioxol-5-yl-4-oxo-cyclohex-2-enecarboxylic acid ethyl ester, RefChem:366891
| Molecular Formula | C58H118 |
|---|---|
| Molecular Weight | 814.92 g/mol |
| LogP | 31.0 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 55 |
| Exact Mass | 814.92334 |
| Heavy Atoms | 58 |
| Complexity | 594.0 |
Chemical Identifiers
| CAS Number | 7667-78-9 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC |
| InChIKey | HDKSWQPFGWHOIA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octapentacontane (CAS 7667-78-9), with molecular formula C58H118 and molecular weight 814.92 g/mol. IUPAC: octapentacontane.
Chemical Property Profile of Octapentacontane
Property Insights of Octapentacontane
The XLogP value of 31.0 indicates that Octapentacontane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Octapentacontane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octapentacontane has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Octapentacontane?
The CAS number of Octapentacontane is 7667-78-9.
What is the molecular formula of Octapentacontane?
The molecular formula of Octapentacontane is C58H118.
What is the molecular weight of Octapentacontane?
The molecular weight of Octapentacontane is 814.92 g/mol.
Where can I buy Octapentacontane?
You can request a quote for Octapentacontane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octapentacontane?
Yes, KEHONG BIO provides custom synthesis services for Octapentacontane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.