3-Hexadecanone
TL;DR: 3-Hexadecanone (CAS 18787-64-9) 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-3-one
Also Known As: 3-Hexadecanone, hexadecan-3-one, Ethyl n-tridecyl ketone, Ethyl tridecyl ketone, Cetan-3-one
| Molecular Formula | C16H32O |
|---|---|
| Molecular Weight | 240.25 g/mol |
| LogP | 6.7 |
| 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 |
Chemical Identifiers
| CAS Number | 18787-64-9 |
|---|---|
| SMILES | CCCCCCCCCCCCCC(=O)CC |
| InChIKey | LTMXHUUHBSCKEK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Hexadecanone (CAS 18787-64-9), with molecular formula C16H32O and molecular weight 240.25 g/mol. IUPAC: hexadecan-3-one.
Chemical Property Profile of 3-Hexadecanone
Property Insights of 3-Hexadecanone
The XLogP value of 6.7 indicates that 3-Hexadecanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 3-Hexadecanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hexadecanone 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 3-Hexadecanone?
The CAS number of 3-Hexadecanone is 18787-64-9.
What is the molecular formula of 3-Hexadecanone?
The molecular formula of 3-Hexadecanone is C16H32O.
What is the molecular weight of 3-Hexadecanone?
The molecular weight of 3-Hexadecanone is 240.25 g/mol.
Where can I buy 3-Hexadecanone?
You can request a quote for 3-Hexadecanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hexadecanone?
Yes, KEHONG BIO provides custom synthesis services for 3-Hexadecanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.