Heptyl isovalerate
TL;DR: Heptyl isovalerate (CAS 56423-43-9) 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.
heptyl 3-methylbutanoate
Also Known As: Heptyl isovalerate, heptyl 3-methylbutanoate, Heptyl 3-methylbutyrate, heptyl isopentanoate, N-HEPTYL ISOVALERATE
| Molecular Formula | C12H24O2 |
|---|---|
| Molecular Weight | 200.18 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 200.17763 |
| Heavy Atoms | 14 |
| Complexity | 141.0 |
Chemical Identifiers
| CAS Number | 56423-43-9 |
|---|---|
| SMILES | CCCCCCCOC(=O)CC(C)C |
| InChIKey | NPBMPHKEFVCCEY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Heptyl isovalerate (CAS 56423-43-9), with molecular formula C12H24O2 and molecular weight 200.18 g/mol. IUPAC: heptyl 3-methylbutanoate.
Chemical Property Profile of Heptyl isovalerate
Property Insights of Heptyl isovalerate
The XLogP value of 4.2 indicates that Heptyl 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, Heptyl isovalerate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptyl 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 Heptyl isovalerate?
The CAS number of Heptyl isovalerate is 56423-43-9.
What is the molecular formula of Heptyl isovalerate?
The molecular formula of Heptyl isovalerate is C12H24O2.
What is the molecular weight of Heptyl isovalerate?
The molecular weight of Heptyl isovalerate is 200.18 g/mol.
Where can I buy Heptyl isovalerate?
You can request a quote for Heptyl isovalerate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptyl isovalerate?
Yes, KEHONG BIO provides custom synthesis services for Heptyl isovalerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.