Hexyl heptanoate
TL;DR: Hexyl heptanoate (CAS 1119-06-8) is a chemical compound with molecular formula C13H26O2 and molecular weight 214.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexyl heptanoate
Also Known As: hexyl heptanoate, Hexyl enanthate, Heptanoic acid, hexyl ester, 1-Hexyl heptanoate, Hexyl-heptanoat
| Molecular Formula | C13H26O2 |
|---|---|
| Molecular Weight | 214.19 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Exact Mass | 214.19328 |
| Heavy Atoms | 15 |
| Complexity | 143.0 |
Chemical Identifiers
| CAS Number | 1119-06-8 |
|---|---|
| SMILES | CCCCCCC(=O)OCCCCCC |
| InChIKey | IFOGOHVJHKKYCT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexyl heptanoate (CAS 1119-06-8), with molecular formula C13H26O2 and molecular weight 214.19 g/mol. IUPAC: hexyl heptanoate.
Chemical Property Profile of Hexyl heptanoate
Property Insights of Hexyl heptanoate
The XLogP value of 4.9 indicates that Hexyl 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, Hexyl heptanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexyl heptanoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hexyl heptanoate?
The CAS number of Hexyl heptanoate is 1119-06-8.
What is the molecular formula of Hexyl heptanoate?
The molecular formula of Hexyl heptanoate is C13H26O2.
What is the molecular weight of Hexyl heptanoate?
The molecular weight of Hexyl heptanoate is 214.19 g/mol.
Where can I buy Hexyl heptanoate?
You can request a quote for Hexyl heptanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexyl heptanoate?
Yes, KEHONG BIO provides custom synthesis services for Hexyl heptanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.