Heptadeca-1,9,16-trien-4,6-diyn-3-one
TL;DR: Heptadeca-1,9,16-trien-4,6-diyn-3-one (CAS 4117-05-9) is a chemical compound with molecular formula C17H20O and molecular weight 240.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
heptadeca-1,9,16-trien-4,6-diyn-3-one
Also Known As: heptadeca-1,9,16-trien-4,6-diyn-3-one, Heptadeca-1,9,16-triene-4,6-diyn-3-one, RefChem:145612
| Molecular Formula | C17H20O |
|---|---|
| Molecular Weight | 240.15 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 9 |
| Exact Mass | 240.15141 |
| Heavy Atoms | 18 |
| Complexity | 425.0 |
Chemical Identifiers
| CAS Number | 4117-05-9 |
|---|---|
| SMILES | C=CCCCCCC=CCC#CC#CC(=O)C=C |
| InChIKey | HLHBDMWPPKHNDQ-UHFFFAOYSA-N |
Product Overview
Heptadeca-1,9,16-trien-4,6-diyn-3-one (CAS 4117-05-9), with molecular formula C17H20O and molecular weight 240.15 g/mol. IUPAC: heptadeca-1,9,16-trien-4,6-diyn-3-one.
Chemical Property Profile of Heptadeca-1,9,16-trien-4,6-diyn-3-one
Property Insights of Heptadeca-1,9,16-trien-4,6-diyn-3-one
The XLogP value of 5.5 indicates that Heptadeca-1,9,16-trien-4,6-diyn-3-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, Heptadeca-1,9,16-trien-4,6-diyn-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptadeca-1,9,16-trien-4,6-diyn-3-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 Heptadeca-1,9,16-trien-4,6-diyn-3-one?
The CAS number of Heptadeca-1,9,16-trien-4,6-diyn-3-one is 4117-05-9.
What is the molecular formula of Heptadeca-1,9,16-trien-4,6-diyn-3-one?
The molecular formula of Heptadeca-1,9,16-trien-4,6-diyn-3-one is C17H20O.
What is the molecular weight of Heptadeca-1,9,16-trien-4,6-diyn-3-one?
The molecular weight of Heptadeca-1,9,16-trien-4,6-diyn-3-one is 240.15 g/mol.
Where can I buy Heptadeca-1,9,16-trien-4,6-diyn-3-one?
You can request a quote for Heptadeca-1,9,16-trien-4,6-diyn-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptadeca-1,9,16-trien-4,6-diyn-3-one?
Yes, KEHONG BIO provides custom synthesis services for Heptadeca-1,9,16-trien-4,6-diyn-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.