Amyl isobutyrate
TL;DR: Amyl isobutyrate (CAS 2445-72-9) is a chemical compound with molecular formula C9H18O2 and molecular weight 158.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentyl 2-methylpropanoate
Also Known As: Amyl isobutyrate, Pentyl isobutyrate, Pentyl 2-methylpropanoate, Amylisobutyrate, Amylisobutyrat
| Molecular Formula | C9H18O2 |
|---|---|
| Molecular Weight | 158.13 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 158.13068 |
| Heavy Atoms | 11 |
| Complexity | 108.0 |
Chemical Identifiers
| CAS Number | 2445-72-9 |
|---|---|
| SMILES | CCCCCOC(=O)C(C)C |
| InChIKey | UYGGIIOLYXRSQY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Amyl isobutyrate (CAS 2445-72-9), with molecular formula C9H18O2 and molecular weight 158.13 g/mol. IUPAC: pentyl 2-methylpropanoate.
Chemical Property Profile of Amyl isobutyrate
Property Insights of Amyl isobutyrate
The XLogP value of 3.0 indicates that Amyl 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, Amyl isobutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Amyl 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 Amyl isobutyrate?
The CAS number of Amyl isobutyrate is 2445-72-9.
What is the molecular formula of Amyl isobutyrate?
The molecular formula of Amyl isobutyrate is C9H18O2.
What is the molecular weight of Amyl isobutyrate?
The molecular weight of Amyl isobutyrate is 158.13 g/mol.
Where can I buy Amyl isobutyrate?
You can request a quote for Amyl isobutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Amyl isobutyrate?
Yes, KEHONG BIO provides custom synthesis services for Amyl isobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.