Hept-2-enyl isovalerate
TL;DR: Hept-2-enyl isovalerate (CAS 94109-97-4) is a chemical compound with molecular formula C12H22O2 and molecular weight 198.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hept-2-enyl 3-methylbutanoate
Also Known As: hept-2-enyl 3-methylbutanoate, Hept-2-enyl isovalerate, 2-hepten-1-yl isovalerate, (E)-Hept-2-enyl isovalerate, (E)-2-hepten-1-yl isovalerate
| Molecular Formula | C12H22O2 |
|---|---|
| Molecular Weight | 198.16 g/mol |
| LogP | 3.3221 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 198.16199 |
| Heavy Atoms | 14 |
| Complexity | 171.16054 |
Chemical Identifiers
| CAS Number | 94109-97-4 |
|---|---|
| SMILES | CCCCC=CCOC(=O)CC(C)C |
Product Overview
Hept-2-enyl isovalerate (CAS 94109-97-4), with molecular formula C12H22O2 and molecular weight 198.16 g/mol. IUPAC: hept-2-enyl 3-methylbutanoate.
Chemical Property Profile of Hept-2-enyl isovalerate
Property Insights of Hept-2-enyl isovalerate
The XLogP value of 3.3221 indicates that Hept-2-enyl isovalerate 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-2-enyl isovalerate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hept-2-enyl isovalerate 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-2-enyl isovalerate?
The CAS number of Hept-2-enyl isovalerate is 94109-97-4.
What is the molecular formula of Hept-2-enyl isovalerate?
The molecular formula of Hept-2-enyl isovalerate is C12H22O2.
What is the molecular weight of Hept-2-enyl isovalerate?
The molecular weight of Hept-2-enyl isovalerate is 198.16 g/mol.
Where can I buy Hept-2-enyl isovalerate?
You can request a quote for Hept-2-enyl isovalerate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hept-2-enyl isovalerate?
Yes, KEHONG BIO provides custom synthesis services for Hept-2-enyl isovalerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.