Isoamyl heptanoate
TL;DR: Isoamyl heptanoate (CAS 109-25-1) 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.
3-methylbutyl heptanoate
Also Known As: 3-Methylbutyl heptanoate, Isoamyl heptanoate, Isopentyl heptanoate, iso-Amyl n-heptanoate, Heptanoic acid, 3-methylbutyl ester
| Molecular Formula | C12H24O2 |
|---|---|
| Molecular Weight | 200.18 g/mol |
| LogP | 4.3 |
| 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 | 109-25-1 |
|---|---|
| SMILES | CCCCCCC(=O)OCCC(C)C |
| InChIKey | AFCXVDRTNQNGHS-UHFFFAOYSA-N |
Product Overview
Isoamyl heptanoate (CAS 109-25-1), with molecular formula C12H24O2 and molecular weight 200.18 g/mol. IUPAC: 3-methylbutyl heptanoate.
Chemical Property Profile of Isoamyl heptanoate
Property Insights of Isoamyl heptanoate
The XLogP value of 4.3 indicates that Isoamyl heptanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Isoamyl heptanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoamyl heptanoate 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 Isoamyl heptanoate?
The CAS number of Isoamyl heptanoate is 109-25-1.
What is the molecular formula of Isoamyl heptanoate?
The molecular formula of Isoamyl heptanoate is C12H24O2.
What is the molecular weight of Isoamyl heptanoate?
The molecular weight of Isoamyl heptanoate is 200.18 g/mol.
Where can I buy Isoamyl heptanoate?
You can request a quote for Isoamyl heptanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoamyl heptanoate?
Yes, KEHONG BIO provides custom synthesis services for Isoamyl heptanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.