Hept-3-en-2-one
TL;DR: Hept-3-en-2-one (CAS 1119-44-4) is a chemical compound with molecular formula C7H12O and molecular weight 112.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hept-3-en-2-one
Also Known As: 3-HEPTEN-2-ONE, Hept-3-en-2-one, Heptenone, Butylideneacetone, (E)-hept-3-en-2-one
| Molecular Formula | C7H12O |
|---|---|
| Molecular Weight | 112.09 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 112.08881 |
| Heavy Atoms | 8 |
| Complexity | 92.0 |
Chemical Identifiers
| CAS Number | 1119-44-4 |
|---|---|
| SMILES | CCCC=CC(=O)C |
| InChIKey | JHHZQADGLDKIPM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hept-3-en-2-one (CAS 1119-44-4), with molecular formula C7H12O and molecular weight 112.09 g/mol. IUPAC: hept-3-en-2-one.
Chemical Property Profile of Hept-3-en-2-one
Property Insights of Hept-3-en-2-one
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hept-3-en-2-one. With a topological polar surface area (TPSA) of 17.1 Ų, Hept-3-en-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hept-3-en-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-3-en-2-one?
The CAS number of Hept-3-en-2-one is 1119-44-4.
What is the molecular formula of Hept-3-en-2-one?
The molecular formula of Hept-3-en-2-one is C7H12O.
What is the molecular weight of Hept-3-en-2-one?
The molecular weight of Hept-3-en-2-one is 112.09 g/mol.
Where can I buy Hept-3-en-2-one?
You can request a quote for Hept-3-en-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-3-en-2-one?
Yes, KEHONG BIO provides custom synthesis services for Hept-3-en-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.