Heptyl hexanoate
TL;DR: Heptyl hexanoate (CAS 6976-72-3) 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.
heptyl hexanoate
Also Known As: Heptyl hexanoate, n-Heptyl hexanoate, heptyl caproate, Hexanoic acid, heptylester, Hexanoic acid, heptyl ester
| 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 | 6976-72-3 |
|---|---|
| SMILES | CCCCCCCOC(=O)CCCCC |
| InChIKey | QEKCBKVWQYEUGY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Heptyl hexanoate (CAS 6976-72-3), with molecular formula C13H26O2 and molecular weight 214.19 g/mol. IUPAC: heptyl hexanoate.
Chemical Property Profile of Heptyl hexanoate
Property Insights of Heptyl hexanoate
The XLogP value of 4.9 indicates that Heptyl hexanoate 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 hexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptyl hexanoate 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 Heptyl hexanoate?
The CAS number of Heptyl hexanoate is 6976-72-3.
What is the molecular formula of Heptyl hexanoate?
The molecular formula of Heptyl hexanoate is C13H26O2.
What is the molecular weight of Heptyl hexanoate?
The molecular weight of Heptyl hexanoate is 214.19 g/mol.
Where can I buy Heptyl hexanoate?
You can request a quote for Heptyl hexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptyl hexanoate?
Yes, KEHONG BIO provides custom synthesis services for Heptyl hexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.