Hept-3-enyl isobutyrate
TL;DR: Hept-3-enyl isobutyrate (CAS 67801-45-0) is a chemical compound with molecular formula C11H20O2 and molecular weight 184.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hept-3-enyl 2-methylpropanoate
Also Known As: Hept-3-enyl isobutyrate, hept-3-enyl 2-methylpropanoate, 3-hepten-1-yl isobutyrate, hept - 3 - enyl isobutyrate, (E)-3-Hepten-1-yl isobutyrate
| Molecular Formula | C11H20O2 |
|---|---|
| Molecular Weight | 184.15 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 184.14633 |
| Heavy Atoms | 13 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 67801-45-0 |
|---|---|
| SMILES | CCCC=CCCOC(=O)C(C)C |
| InChIKey | RMOVDPSOWOBAKR-UHFFFAOYSA-N |
Product Overview
Hept-3-enyl isobutyrate (CAS 67801-45-0), with molecular formula C11H20O2 and molecular weight 184.15 g/mol. IUPAC: hept-3-enyl 2-methylpropanoate.
Chemical Property Profile of Hept-3-enyl isobutyrate
Property Insights of Hept-3-enyl isobutyrate
The XLogP value of 3.5 indicates that Hept-3-enyl isobutyrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Hept-3-enyl isobutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hept-3-enyl isobutyrate 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 Hept-3-enyl isobutyrate?
The CAS number of Hept-3-enyl isobutyrate is 67801-45-0.
What is the molecular formula of Hept-3-enyl isobutyrate?
The molecular formula of Hept-3-enyl isobutyrate is C11H20O2.
What is the molecular weight of Hept-3-enyl isobutyrate?
The molecular weight of Hept-3-enyl isobutyrate is 184.15 g/mol.
Where can I buy Hept-3-enyl isobutyrate?
You can request a quote for Hept-3-enyl isobutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hept-3-enyl isobutyrate?
Yes, KEHONG BIO provides custom synthesis services for Hept-3-enyl isobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.