Hexyl hexanoate
TL;DR: Hexyl hexanoate (CAS 6378-65-0) is a chemical compound with molecular formula C12H24O2 and molecular weight 200.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexyl hexanoate
Also Known As: HEXYL HEXANOATE, Hexyl caproate, Hexyl hexoate, n-Hexyl hexanoate, Hexanoic acid, hexyl ester
| Molecular Formula | C12H24O2 |
|---|---|
| Molecular Weight | 200.18 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 200.17763 |
| Heavy Atoms | 14 |
| Complexity | 132.0 |
| Melting Point | -55.00 °C. @ 760.00 mm Hg |
| Boiling Point | 245.00 to 246.00 °C. @ 760.00 mm Hg |
| Density | 0.855-0.863(20°) |
| Solubility | insoluble in water |
| Refractive Index | 1.420-1.430 |
Chemical Identifiers
| CAS Number | 6378-65-0 |
|---|---|
| SMILES | CCCCCCOC(=O)CCCCC |
| InChIKey | NCDCLPBOMHPFCV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexyl hexanoate (CAS 6378-65-0), with molecular formula C12H24O2 and molecular weight 200.18 g/mol. IUPAC: hexyl hexanoate.
Chemical Property Profile of Hexyl hexanoate
Property Insights of Hexyl hexanoate
The XLogP value of 4.4 indicates that Hexyl 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, Hexyl hexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexyl 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 Hexyl hexanoate?
The CAS number of Hexyl hexanoate is 6378-65-0.
What is the molecular formula of Hexyl hexanoate?
The molecular formula of Hexyl hexanoate is C12H24O2.
What is the molecular weight of Hexyl hexanoate?
The molecular weight of Hexyl hexanoate is 200.18 g/mol.
Where can I buy Hexyl hexanoate?
You can request a quote for Hexyl hexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexyl hexanoate?
Yes, KEHONG BIO provides custom synthesis services for Hexyl hexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.