Hept-6-yn-2-one
TL;DR: Hept-6-yn-2-one (CAS 928-39-2) is a chemical compound with molecular formula C7H10O and molecular weight 110.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hept-6-yn-2-one
Also Known As: hept-6-yn-2-one, 6-Heptyn-2-one, 1-Heptyn-6-one, 6-Heptyne-2-one, 2-Oxo-heptin-6
| Molecular Formula | C7H10O |
|---|---|
| Molecular Weight | 110.07 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 110.073166 |
| Heavy Atoms | 8 |
| Complexity | 116.0 |
Chemical Identifiers
| CAS Number | 928-39-2 |
|---|---|
| SMILES | CC(=O)CCCC#C |
| InChIKey | HYDAEDXXFPPLQI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hept-6-yn-2-one (CAS 928-39-2), with molecular formula C7H10O and molecular weight 110.07 g/mol. IUPAC: hept-6-yn-2-one.
Chemical Property Profile of Hept-6-yn-2-one
Property Insights of Hept-6-yn-2-one
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hept-6-yn-2-one. With a topological polar surface area (TPSA) of 17.1 Ų, Hept-6-yn-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hept-6-yn-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 Hept-6-yn-2-one?
The CAS number of Hept-6-yn-2-one is 928-39-2.
What is the molecular formula of Hept-6-yn-2-one?
The molecular formula of Hept-6-yn-2-one is C7H10O.
What is the molecular weight of Hept-6-yn-2-one?
The molecular weight of Hept-6-yn-2-one is 110.07 g/mol.
Where can I buy Hept-6-yn-2-one?
You can request a quote for Hept-6-yn-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hept-6-yn-2-one?
Yes, KEHONG BIO provides custom synthesis services for Hept-6-yn-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.