2-Heptyl hexanoate
TL;DR: 2-Heptyl hexanoate (CAS 6624-58-4) 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.
heptan-2-yl hexanoate
Also Known As: 2-Heptyl hexanoate, heptan-2-yl hexanoate, 1-Methylhexyl hexanoate, Hexanoic acid, 1-methylhexyl ester, sec-heptyl hexanoate
| Molecular Formula | C13H26O2 |
|---|---|
| Molecular Weight | 214.19 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 214.19328 |
| Heavy Atoms | 15 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 6624-58-4 |
|---|---|
| SMILES | CCCCCC(C)OC(=O)CCCCC |
| InChIKey | PPQPRIGCIRJGJH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Heptyl hexanoate (CAS 6624-58-4), with molecular formula C13H26O2 and molecular weight 214.19 g/mol. IUPAC: heptan-2-yl hexanoate.
Chemical Property Profile of 2-Heptyl hexanoate
Property Insights of 2-Heptyl hexanoate
The XLogP value of 4.8 indicates that 2-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, 2-Heptyl hexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-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 2-Heptyl hexanoate?
The CAS number of 2-Heptyl hexanoate is 6624-58-4.
What is the molecular formula of 2-Heptyl hexanoate?
The molecular formula of 2-Heptyl hexanoate is C13H26O2.
What is the molecular weight of 2-Heptyl hexanoate?
The molecular weight of 2-Heptyl hexanoate is 214.19 g/mol.
Where can I buy 2-Heptyl hexanoate?
You can request a quote for 2-Heptyl hexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Heptyl hexanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Heptyl hexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.