Hexadecan-2-one
TL;DR: Hexadecan-2-one (CAS 18787-63-8) is a chemical compound with molecular formula C16H32O and molecular weight 240.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexadecan-2-one
Also Known As: 2-HEXADECANONE, Hexadecan-2-one, 3-Hexadecanone, Methyl tetradecyl ketone, Cetan-2-one
| Molecular Formula | C16H32O |
|---|---|
| Molecular Weight | 240.25 g/mol |
| LogP | 6.8 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 13 |
| Exact Mass | 240.24532 |
| Heavy Atoms | 17 |
| Complexity | 163.0 |
| Melting Point | 43 - 43.5 °C |
| Boiling Point | 317.00 to 318.00 °C. @ 760.00 mm Hg |
Chemical Identifiers
| CAS Number | 18787-63-8 |
|---|---|
| SMILES | CCCCCCCCCCCCCCC(=O)C |
| InChIKey | XCXKZBWAKKPFCJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexadecan-2-one (CAS 18787-63-8), with molecular formula C16H32O and molecular weight 240.25 g/mol. IUPAC: hexadecan-2-one.
Chemical Property Profile of Hexadecan-2-one
Property Insights of Hexadecan-2-one
The XLogP value of 6.8 indicates that Hexadecan-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, Hexadecan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexadecan-2-one has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hexadecan-2-one?
The CAS number of Hexadecan-2-one is 18787-63-8.
What is the molecular formula of Hexadecan-2-one?
The molecular formula of Hexadecan-2-one is C16H32O.
What is the molecular weight of Hexadecan-2-one?
The molecular weight of Hexadecan-2-one is 240.25 g/mol.
Where can I buy Hexadecan-2-one?
You can request a quote for Hexadecan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexadecan-2-one?
Yes, KEHONG BIO provides custom synthesis services for Hexadecan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.