Isoamyl 2-methylbutyrate
TL;DR: Isoamyl 2-methylbutyrate (CAS 93803-99-7) is a chemical compound with molecular formula C10H20O2 and molecular weight 172.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylbutyl 2-methylbutanoate
Also Known As: 3-Methylbutyl 2-methylbutanoate, Isopentyl 2-methylbutyrate, Isoamyl 2-methylbutyrate, Isopentyl 2-methylbutanoate, Isoamyl 2-methylbutanoate
| Molecular Formula | C10H20O2 |
|---|---|
| Molecular Weight | 172.15 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 172.14633 |
| Heavy Atoms | 12 |
| Complexity | 130.0 |
Chemical Identifiers
| CAS Number | 93803-99-7 |
|---|---|
| SMILES | CCC(C)C(=O)OCCC(C)C |
| InChIKey | VGIRHYHLQKDEPP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isoamyl 2-methylbutyrate (CAS 93803-99-7), with molecular formula C10H20O2 and molecular weight 172.15 g/mol. IUPAC: 3-methylbutyl 2-methylbutanoate.
Chemical Property Profile of Isoamyl 2-methylbutyrate
Property Insights of Isoamyl 2-methylbutyrate
The XLogP value of 3.2 indicates that Isoamyl 2-methylbutyrate 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 2-methylbutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoamyl 2-methylbutyrate 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 2-methylbutyrate?
The CAS number of Isoamyl 2-methylbutyrate is 93803-99-7.
What is the molecular formula of Isoamyl 2-methylbutyrate?
The molecular formula of Isoamyl 2-methylbutyrate is C10H20O2.
What is the molecular weight of Isoamyl 2-methylbutyrate?
The molecular weight of Isoamyl 2-methylbutyrate is 172.15 g/mol.
Where can I buy Isoamyl 2-methylbutyrate?
You can request a quote for Isoamyl 2-methylbutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoamyl 2-methylbutyrate?
Yes, KEHONG BIO provides custom synthesis services for Isoamyl 2-methylbutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.