Methyl heptanoate
TL;DR: Methyl heptanoate (CAS 106-73-0) is a chemical compound with molecular formula C8H16O2 and molecular weight 144.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl heptanoate
Also Known As: METHYL HEPTANOATE, Methyl enanthate, Methyl heptoate, Methyl n-heptylate, Heptanoic acid methyl ester
| Molecular Formula | C8H16O2 |
|---|---|
| Molecular Weight | 144.12 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 144.11504 |
| Heavy Atoms | 10 |
| Complexity | 89.0 |
| Melting Point | -55.8 °C |
| Boiling Point | 174.00 °C. @ 760.00 mm Hg |
| Density | 0.87115 (20°) |
| Solubility | soluble in organic solvents |
| Vapor Pressure | 1.56 [mmHg] |
| Refractive Index | 1.4114-1.41334 |
Chemical Identifiers
| CAS Number | 106-73-0 |
|---|---|
| SMILES | CCCCCCC(=O)OC |
| InChIKey | XNCNNDVCAUWAIT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl heptanoate (CAS 106-73-0), with molecular formula C8H16O2 and molecular weight 144.12 g/mol. IUPAC: methyl heptanoate.
Chemical Property Profile of Methyl heptanoate
Property Insights of Methyl heptanoate
The XLogP value of 3.0 indicates that Methyl heptanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl heptanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl heptanoate 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 Methyl heptanoate?
The CAS number of Methyl heptanoate is 106-73-0.
What is the molecular formula of Methyl heptanoate?
The molecular formula of Methyl heptanoate is C8H16O2.
What is the molecular weight of Methyl heptanoate?
The molecular weight of Methyl heptanoate is 144.12 g/mol.
Where can I buy Methyl heptanoate?
You can request a quote for Methyl heptanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl heptanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl heptanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.