Pentyl 2-methylvalerate
TL;DR: Pentyl 2-methylvalerate (CAS 6297-48-9) is a chemical compound with molecular formula C11H22O2 and molecular weight 186.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentyl 2-methylpentanoate
Also Known As: Amyl 2-methylvalerate, Pentyl 2-methylpentanoate, Pentyl 2-methylvalerate, Amyl-2-methylvalerate, amyl 2-methyl valerate
| Molecular Formula | C11H22O2 |
|---|---|
| Molecular Weight | 186.16 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 186.16199 |
| Heavy Atoms | 13 |
| Complexity | 132.0 |
Chemical Identifiers
| CAS Number | 6297-48-9 |
|---|---|
| SMILES | CCCCCOC(=O)C(C)CCC |
| InChIKey | SDCYWLNURCILGU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentyl 2-methylvalerate (CAS 6297-48-9), with molecular formula C11H22O2 and molecular weight 186.16 g/mol. IUPAC: pentyl 2-methylpentanoate.
Chemical Property Profile of Pentyl 2-methylvalerate
Property Insights of Pentyl 2-methylvalerate
The XLogP value of 3.8 indicates that Pentyl 2-methylvalerate 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-methylvalerate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentyl 2-methylvalerate 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-methylvalerate?
The CAS number of Pentyl 2-methylvalerate is 6297-48-9.
What is the molecular formula of Pentyl 2-methylvalerate?
The molecular formula of Pentyl 2-methylvalerate is C11H22O2.
What is the molecular weight of Pentyl 2-methylvalerate?
The molecular weight of Pentyl 2-methylvalerate is 186.16 g/mol.
Where can I buy Pentyl 2-methylvalerate?
You can request a quote for Pentyl 2-methylvalerate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentyl 2-methylvalerate?
Yes, KEHONG BIO provides custom synthesis services for Pentyl 2-methylvalerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.