Heptyl 2-methylpentanoate
TL;DR: Heptyl 2-methylpentanoate (CAS 76720-38-2) is a chemical compound with molecular formula C13H26O2 and molecular weight 214.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
heptyl 2-methylpentanoate
Also Known As: heptyl 2-methylpentanoate, 3-methoxybutyl phenylacetate
| Molecular Formula | C13H26O2 |
|---|---|
| Molecular Weight | 214.19 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 214.19328 |
| Heavy Atoms | 15 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 76720-38-2 |
|---|---|
| SMILES | CCCCCCCOC(=O)C(C)CCC |
| InChIKey | GGGDUESNMWPZRK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Heptyl 2-methylpentanoate (CAS 76720-38-2), with molecular formula C13H26O2 and molecular weight 214.19 g/mol. IUPAC: heptyl 2-methylpentanoate.
Chemical Property Profile of Heptyl 2-methylpentanoate
Property Insights of Heptyl 2-methylpentanoate
The XLogP value of 4.9 indicates that Heptyl 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, Heptyl 2-methylpentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptyl 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 Heptyl 2-methylpentanoate?
The CAS number of Heptyl 2-methylpentanoate is 76720-38-2.
What is the molecular formula of Heptyl 2-methylpentanoate?
The molecular formula of Heptyl 2-methylpentanoate is C13H26O2.
What is the molecular weight of Heptyl 2-methylpentanoate?
The molecular weight of Heptyl 2-methylpentanoate is 214.19 g/mol.
Where can I buy Heptyl 2-methylpentanoate?
You can request a quote for Heptyl 2-methylpentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptyl 2-methylpentanoate?
Yes, KEHONG BIO provides custom synthesis services for Heptyl 2-methylpentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.