Pentyl 2-methylbutyrate
TL;DR: Pentyl 2-methylbutyrate (CAS 68039-26-9) 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.
pentyl 2-methylbutanoate
Also Known As: AMYL-2-METHYLBUTYRATE, Pentyl 2-methylbutanoate, Pentyl 2-methylbutyrate, Amyl 2-methylbutyrate, n-Amyl 2-methylbutyrate
| Molecular Formula | C10H20O2 |
|---|---|
| Molecular Weight | 172.15 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 172.14633 |
| Heavy Atoms | 12 |
| Complexity | 121.0 |
Chemical Identifiers
| CAS Number | 68039-26-9 |
|---|---|
| SMILES | CCCCCOC(=O)C(C)CC |
| InChIKey | RHNBXPIJLXBHMF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentyl 2-methylbutyrate (CAS 68039-26-9), with molecular formula C10H20O2 and molecular weight 172.15 g/mol. IUPAC: pentyl 2-methylbutanoate.
Chemical Property Profile of Pentyl 2-methylbutyrate
Property Insights of Pentyl 2-methylbutyrate
The XLogP value of 3.3 indicates that Pentyl 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, Pentyl 2-methylbutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentyl 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 Pentyl 2-methylbutyrate?
The CAS number of Pentyl 2-methylbutyrate is 68039-26-9.
What is the molecular formula of Pentyl 2-methylbutyrate?
The molecular formula of Pentyl 2-methylbutyrate is C10H20O2.
What is the molecular weight of Pentyl 2-methylbutyrate?
The molecular weight of Pentyl 2-methylbutyrate is 172.15 g/mol.
Where can I buy Pentyl 2-methylbutyrate?
You can request a quote for Pentyl 2-methylbutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentyl 2-methylbutyrate?
Yes, KEHONG BIO provides custom synthesis services for Pentyl 2-methylbutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.