Butyl 2-methylpentanoate
TL;DR: Butyl 2-methylpentanoate (CAS 6297-41-2) 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.
butyl 2-methylpentanoate
Also Known As: Butyl 2-methylvalerate, Butyl 2-methylpentanoate, chamomile valerate, Butyl2-methylpentanoate, Pentanoic acid, 2-methyl-, butyl ester
| 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 | 6297-41-2 |
|---|---|
| SMILES | CCCCOC(=O)C(C)CCC |
| InChIKey | FMVUGLMJUHFPSJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butyl 2-methylpentanoate (CAS 6297-41-2), with molecular formula C10H20O2 and molecular weight 172.15 g/mol. IUPAC: butyl 2-methylpentanoate.
Chemical Property Profile of Butyl 2-methylpentanoate
Property Insights of Butyl 2-methylpentanoate
The XLogP value of 3.3 indicates that Butyl 2-methylpentanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Butyl 2-methylpentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl 2-methylpentanoate 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 Butyl 2-methylpentanoate?
The CAS number of Butyl 2-methylpentanoate is 6297-41-2.
What is the molecular formula of Butyl 2-methylpentanoate?
The molecular formula of Butyl 2-methylpentanoate is C10H20O2.
What is the molecular weight of Butyl 2-methylpentanoate?
The molecular weight of Butyl 2-methylpentanoate is 172.15 g/mol.
Where can I buy Butyl 2-methylpentanoate?
You can request a quote for Butyl 2-methylpentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 2-methylpentanoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 2-methylpentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.