Hexyl 2-methylpentanoate
TL;DR: Hexyl 2-methylpentanoate (CAS 7597-56-0) is a chemical compound with molecular formula C12H24O2 and molecular weight 200.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexyl 2-methylpentanoate
Also Known As: hexyl 2-methylpentanoate, Pentanoic acid, 2-methyl, hexyl ester, N-(3,4-Difluoro-phenyl)-3-(dimethyl-morpholin-4-yl)-propionamide, N-(3,4-Difluorophenyl)-3-(2,6-dimethyl-4-morpholinyl)propanamide
| Molecular Formula | C12H24O2 |
|---|---|
| Molecular Weight | 200.18 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 200.17763 |
| Heavy Atoms | 14 |
| Complexity | 143.0 |
Chemical Identifiers
| CAS Number | 7597-56-0 |
|---|---|
| SMILES | CCCCCCOC(=O)C(C)CCC |
| InChIKey | AHCHETIYFJZLHR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexyl 2-methylpentanoate (CAS 7597-56-0), with molecular formula C12H24O2 and molecular weight 200.18 g/mol. IUPAC: hexyl 2-methylpentanoate.
Chemical Property Profile of Hexyl 2-methylpentanoate
Property Insights of Hexyl 2-methylpentanoate
The XLogP value of 4.4 indicates that Hexyl 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, Hexyl 2-methylpentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexyl 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 Hexyl 2-methylpentanoate?
The CAS number of Hexyl 2-methylpentanoate is 7597-56-0.
What is the molecular formula of Hexyl 2-methylpentanoate?
The molecular formula of Hexyl 2-methylpentanoate is C12H24O2.
What is the molecular weight of Hexyl 2-methylpentanoate?
The molecular weight of Hexyl 2-methylpentanoate is 200.18 g/mol.
Where can I buy Hexyl 2-methylpentanoate?
You can request a quote for Hexyl 2-methylpentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexyl 2-methylpentanoate?
Yes, KEHONG BIO provides custom synthesis services for Hexyl 2-methylpentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.