Octyl heptanoate
TL;DR: Octyl heptanoate (CAS 51322-35-1) is a chemical compound with molecular formula C15H30O2 and molecular weight 242.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octyl heptanoate
Also Known As: Octyl heptanoate, Octyl heptylate, Octyl enanthate, Octyl heptoate, Heptanoic acid, octyl ester
| Molecular Formula | C15H30O2 |
|---|---|
| Molecular Weight | 242.22 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 13 |
| Exact Mass | 242.22458 |
| Heavy Atoms | 17 |
| Complexity | 166.0 |
Chemical Identifiers
| CAS Number | 51322-35-1 |
|---|---|
| SMILES | CCCCCCCCOC(=O)CCCCCC |
| InChIKey | XAZROQGRFWCMBU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octyl heptanoate (CAS 51322-35-1), with molecular formula C15H30O2 and molecular weight 242.22 g/mol. IUPAC: octyl heptanoate.
Chemical Property Profile of Octyl heptanoate
Property Insights of Octyl heptanoate
The XLogP value of 5.9 indicates that Octyl heptanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Octyl heptanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octyl heptanoate 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 Octyl heptanoate?
The CAS number of Octyl heptanoate is 51322-35-1.
What is the molecular formula of Octyl heptanoate?
The molecular formula of Octyl heptanoate is C15H30O2.
What is the molecular weight of Octyl heptanoate?
The molecular weight of Octyl heptanoate is 242.22 g/mol.
Where can I buy Octyl heptanoate?
You can request a quote for Octyl heptanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octyl heptanoate?
Yes, KEHONG BIO provides custom synthesis services for Octyl heptanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.