Hexan-2-yl pentanoate
TL;DR: Hexan-2-yl pentanoate (CAS 92188-49-3) 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.
hexan-2-yl pentanoate
Also Known As: hexan-2-yl pentanoate, hexan-2-ylpentanoate, 1-methylpentyl pentanoate, Pentanoic acid, 1-methylpentyl ester, RefChem:347572
| Molecular Formula | C11H22O2 |
|---|---|
| Molecular Weight | 186.16 g/mol |
| LogP | 3.7 |
| 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 | 92188-49-3 |
|---|---|
| SMILES | CCCCC(C)OC(=O)CCCC |
| InChIKey | ZTFOJUWOBGLQSG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexan-2-yl pentanoate (CAS 92188-49-3), with molecular formula C11H22O2 and molecular weight 186.16 g/mol. IUPAC: hexan-2-yl pentanoate.
Chemical Property Profile of Hexan-2-yl pentanoate
Property Insights of Hexan-2-yl pentanoate
The XLogP value of 3.7 indicates that Hexan-2-yl pentanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Hexan-2-yl pentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexan-2-yl pentanoate 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 Hexan-2-yl pentanoate?
The CAS number of Hexan-2-yl pentanoate is 92188-49-3.
What is the molecular formula of Hexan-2-yl pentanoate?
The molecular formula of Hexan-2-yl pentanoate is C11H22O2.
What is the molecular weight of Hexan-2-yl pentanoate?
The molecular weight of Hexan-2-yl pentanoate is 186.16 g/mol.
Where can I buy Hexan-2-yl pentanoate?
You can request a quote for Hexan-2-yl pentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexan-2-yl pentanoate?
Yes, KEHONG BIO provides custom synthesis services for Hexan-2-yl pentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.