4-Hepten-2-one
TL;DR: 4-Hepten-2-one (CAS 90605-45-1) is a chemical compound with molecular formula C7H12O and molecular weight 112.08881 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
hept-4-en-2-one
Also Known As: 4-Hepten-2-one, hept-4-en-2-one, (E)-hept-4-en-2-one, 4-Hepten-2-one, (4Z)-, 4-Hepten-2-one (8CI,9CI)
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H12O |
| Molecular Weight | 112.08881 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 112.08881 Da |
| Heavy Atoms | 8 |
| Complexity | 92.0 |
| SMILES | CCC=CCC(=O)C |
| InChIKey | VQKIKHHXFHNXJT-UHFFFAOYSA-N |
Product Description
Applications: 4-Hepten-2-one is used in complex organic molecule assembly across discovery and process chemistry, as well as biotechnology workflows and life-science research. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
4-Hepten-2-one is a organic building block identified by CAS number 90605-45-1 and the molecular formula C7H12O and a molecular weight of 112.09 g/mol. Synonyms include 4-Hepten-2-one and hept-4-en-2-one.
Custom synthesis (mg to ton scale), HPLC/NMR/MS analytical support, and complete COA/MSDS documentation are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 4-Hepten-2-one
Property Insights of 4-Hepten-2-one
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hepten-2-one. With a topological polar surface area (TPSA) of 17.1 Ų, 4-Hepten-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hepten-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
What is the CAS number of 4-Hepten-2-one?
The CAS number of 4-Hepten-2-one is 90605-45-1.
What is the molecular formula of 4-Hepten-2-one?
The molecular formula of 4-Hepten-2-one is C7H12O.
What is the molecular weight of 4-Hepten-2-one?
The molecular weight of 4-Hepten-2-one is 112.08881 g/mol.
What are the applications of 4-Hepten-2-one?
4-Hepten-2-one is used in complex organic molecule assembly across discovery and process chemistry, as well as biotechnology workflows and life-science research. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy 4-Hepten-2-one?
You can request a quote for 4-Hepten-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Hepten-2-one?
Yes, CoreyChem provides custom synthesis services for 4-Hepten-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.