Isopiperitenone
TL;DR: Isopiperitenone (CAS 529-01-1) is a chemical compound with molecular formula C10H14O and molecular weight 150.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-one
Also Known As: Isopiperitenone, Isopiperitenon, Iso-piperitenone, p-Mentha-1,8-dien-3-one, (-)-Isoperitenone
| Molecular Formula | C10H14O |
|---|---|
| Molecular Weight | 150.10 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 150.10446 |
| Heavy Atoms | 11 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 529-01-1 |
|---|---|
| SMILES | CC1=CC(=O)C(CC1)C(=C)C |
| InChIKey | SEZLYIWMVRUIKT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isopiperitenone (CAS 529-01-1), with molecular formula C10H14O and molecular weight 150.10 g/mol. IUPAC: 3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-one.
Chemical Property Profile of Isopiperitenone
Property Insights of Isopiperitenone
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopiperitenone. With a topological polar surface area (TPSA) of 17.1 Ų, Isopiperitenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopiperitenone 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 Isopiperitenone?
The CAS number of Isopiperitenone is 529-01-1.
What is the molecular formula of Isopiperitenone?
The molecular formula of Isopiperitenone is C10H14O.
What is the molecular weight of Isopiperitenone?
The molecular weight of Isopiperitenone is 150.10 g/mol.
Where can I buy Isopiperitenone?
You can request a quote for Isopiperitenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopiperitenone?
Yes, KEHONG BIO provides custom synthesis services for Isopiperitenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.