Heptan-3-yl hexanoate
TL;DR: Heptan-3-yl hexanoate (CAS 6278-28-0) 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-3-yl hexanoate
Also Known As: heptan-3-yl hexanoate, 3-HEPTYL HEXANOATE, Hexanoic acid,1-ethylpentyl ester, Hexanoic acid heptan-3-yl ester
| 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 | 6278-28-0 |
|---|---|
| SMILES | CCCCCC(=O)OC(CC)CCCC |
| InChIKey | KDHWURFMXQEFPK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Heptan-3-yl hexanoate (CAS 6278-28-0), with molecular formula C13H26O2 and molecular weight 214.19 g/mol. IUPAC: heptan-3-yl hexanoate.
Chemical Property Profile of Heptan-3-yl hexanoate
Property Insights of Heptan-3-yl hexanoate
The XLogP value of 4.8 indicates that Heptan-3-yl 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, Heptan-3-yl hexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptan-3-yl 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 Heptan-3-yl hexanoate?
The CAS number of Heptan-3-yl hexanoate is 6278-28-0.
What is the molecular formula of Heptan-3-yl hexanoate?
The molecular formula of Heptan-3-yl hexanoate is C13H26O2.
What is the molecular weight of Heptan-3-yl hexanoate?
The molecular weight of Heptan-3-yl hexanoate is 214.19 g/mol.
Where can I buy Heptan-3-yl hexanoate?
You can request a quote for Heptan-3-yl hexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptan-3-yl hexanoate?
Yes, KEHONG BIO provides custom synthesis services for Heptan-3-yl hexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.