Propenyl propyl ketone
TL;DR: Propenyl propyl ketone (CAS 4643-25-8) 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-2-en-4-one
Also Known As: hept-2-en-4-one, 2-HEPTEN-4-ONE, propenyl propyl ketone, H-Gly-Gly-Tyr-OH, (E)-2-Hepten-4-one
| Molecular Formula | C7H12O |
|---|---|
| Molecular Weight | 112.09 g/mol |
| LogP | 1.6 |
| 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 | 4643-25-8 |
|---|---|
| SMILES | CCCC(=O)C=CC |
| InChIKey | TXVAOITYBBWKMG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propenyl propyl ketone (CAS 4643-25-8), with molecular formula C7H12O and molecular weight 112.09 g/mol. IUPAC: hept-2-en-4-one.
Chemical Property Profile of Propenyl propyl ketone
Property Insights of Propenyl propyl ketone
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propenyl propyl ketone. With a topological polar surface area (TPSA) of 17.1 Ų, Propenyl propyl ketone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propenyl propyl ketone 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 Propenyl propyl ketone?
The CAS number of Propenyl propyl ketone is 4643-25-8.
What is the molecular formula of Propenyl propyl ketone?
The molecular formula of Propenyl propyl ketone is C7H12O.
What is the molecular weight of Propenyl propyl ketone?
The molecular weight of Propenyl propyl ketone is 112.09 g/mol.
Where can I buy Propenyl propyl ketone?
You can request a quote for Propenyl propyl ketone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propenyl propyl ketone?
Yes, KEHONG BIO provides custom synthesis services for Propenyl propyl ketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.