Hept-2-yn-4-one
TL;DR: Hept-2-yn-4-one (CAS 71932-98-4) 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-2-yn-4-one
Also Known As: Hept-2-yn-4-one, 2-Heptyne-4-one, 2-Heptyn-4-one, 2-Heptyn-4-one #, J1.832.220J
| Molecular Formula | C7H10O |
|---|---|
| Molecular Weight | 110.07 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 110.073166 |
| Heavy Atoms | 8 |
| Complexity | 133.0 |
Chemical Identifiers
| CAS Number | 71932-98-4 |
|---|---|
| SMILES | CCCC(=O)C#CC |
| InChIKey | NGDLDSJVXIMWCH-UHFFFAOYSA-N |
Product Overview
Hept-2-yn-4-one (CAS 71932-98-4), with molecular formula C7H10O and molecular weight 110.07 g/mol. IUPAC: hept-2-yn-4-one.
Chemical Property Profile of Hept-2-yn-4-one
Property Insights of Hept-2-yn-4-one
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hept-2-yn-4-one. With a topological polar surface area (TPSA) of 17.1 Ų, Hept-2-yn-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hept-2-yn-4-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-2-yn-4-one?
The CAS number of Hept-2-yn-4-one is 71932-98-4.
What is the molecular formula of Hept-2-yn-4-one?
The molecular formula of Hept-2-yn-4-one is C7H10O.
What is the molecular weight of Hept-2-yn-4-one?
The molecular weight of Hept-2-yn-4-one is 110.07 g/mol.
Where can I buy Hept-2-yn-4-one?
You can request a quote for Hept-2-yn-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hept-2-yn-4-one?
Yes, KEHONG BIO provides custom synthesis services for Hept-2-yn-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.