3,5-Heptadiyn-2-one
TL;DR: 3,5-Heptadiyn-2-one (CAS 13879-71-5) is a chemical compound with molecular formula C7H6O and molecular weight 106.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hepta-3,5-diyn-2-one
Also Known As: 3,5-Heptadiyn-2-one, hepta-3,5-diyn-2-one, 5-heptadiyn-2-one, RefChem:272026
| Molecular Formula | C7H6O |
|---|---|
| Molecular Weight | 106.04 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 106.04186 |
| Heavy Atoms | 8 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 13879-71-5 |
|---|---|
| SMILES | CC#CC#CC(=O)C |
| InChIKey | WAXKZOQSCPDRLB-UHFFFAOYSA-N |
Product Overview
3,5-Heptadiyn-2-one (CAS 13879-71-5), with molecular formula C7H6O and molecular weight 106.04 g/mol. IUPAC: hepta-3,5-diyn-2-one.
Chemical Property Profile of 3,5-Heptadiyn-2-one
Property Insights of 3,5-Heptadiyn-2-one
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Heptadiyn-2-one. With a topological polar surface area (TPSA) of 17.1 Ų, 3,5-Heptadiyn-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Heptadiyn-2-one has 0 hydrogen bond donor(s) and 1 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 3,5-Heptadiyn-2-one?
The CAS number of 3,5-Heptadiyn-2-one is 13879-71-5.
What is the molecular formula of 3,5-Heptadiyn-2-one?
The molecular formula of 3,5-Heptadiyn-2-one is C7H6O.
What is the molecular weight of 3,5-Heptadiyn-2-one?
The molecular weight of 3,5-Heptadiyn-2-one is 106.04 g/mol.
Where can I buy 3,5-Heptadiyn-2-one?
You can request a quote for 3,5-Heptadiyn-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Heptadiyn-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Heptadiyn-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.