Heptyl Formate
TL;DR: Heptyl Formate (CAS 112-23-2) 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.
heptyl formate
Also Known As: Heptyl formate, Heptyl methanote, Heptanol, formate, n-Heptyl methanoate, Heptyl alcohol formate
| 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 | 7 |
| Exact Mass | 144.11504 |
| Heavy Atoms | 10 |
| Complexity | 71.0 |
| Boiling Point | 177.00 to 178.00 °C. @ 760.00 mm Hg |
| Density | 0.88277 (15°) |
| Solubility | soluble in ether, most organic solvents; insoluble in water |
| Refractive Index | 1.414 |
Chemical Identifiers
| CAS Number | 112-23-2 |
|---|---|
| SMILES | CCCCCCCOC=O |
| InChIKey | XEAMDSXSXYAICO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Heptyl Formate (CAS 112-23-2), with molecular formula C8H16O2 and molecular weight 144.12 g/mol. IUPAC: heptyl formate.
Chemical Property Profile of Heptyl Formate
Property Insights of Heptyl Formate
The XLogP value of 3.0 indicates that Heptyl Formate 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 Formate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptyl Formate 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 Formate?
The CAS number of Heptyl Formate is 112-23-2.
What is the molecular formula of Heptyl Formate?
The molecular formula of Heptyl Formate is C8H16O2.
What is the molecular weight of Heptyl Formate?
The molecular weight of Heptyl Formate is 144.12 g/mol.
Where can I buy Heptyl Formate?
You can request a quote for Heptyl Formate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptyl Formate?
Yes, KEHONG BIO provides custom synthesis services for Heptyl Formate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.