Dihydrodehydro-beta-ionone
TL;DR: Dihydrodehydro-beta-ionone (CAS 20570-69-8) is a chemical compound with molecular formula C13H20O and molecular weight 192.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)butan-2-one
Also Known As: Dehydrodihydroionone, Dihydrodehydro-beta-ionone, dihydrodamascenone, FEMA No. 3447, 4- butan-2-one
| Molecular Formula | C13H20O |
|---|---|
| Molecular Weight | 192.15 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 192.15141 |
| Heavy Atoms | 14 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 20570-69-8 |
|---|---|
| SMILES | CC1=C(C(CC=C1)(C)C)CCC(=O)C |
| InChIKey | SQFRYZPEWOZAKJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dihydrodehydro-beta-ionone (CAS 20570-69-8), with molecular formula C13H20O and molecular weight 192.15 g/mol. IUPAC: 4-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)butan-2-one.
Chemical Property Profile of Dihydrodehydro-beta-ionone
Property Insights of Dihydrodehydro-beta-ionone
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dihydrodehydro-beta-ionone. With a topological polar surface area (TPSA) of 17.1 Ų, Dihydrodehydro-beta-ionone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dihydrodehydro-beta-ionone 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 Dihydrodehydro-beta-ionone?
The CAS number of Dihydrodehydro-beta-ionone is 20570-69-8.
What is the molecular formula of Dihydrodehydro-beta-ionone?
The molecular formula of Dihydrodehydro-beta-ionone is C13H20O.
What is the molecular weight of Dihydrodehydro-beta-ionone?
The molecular weight of Dihydrodehydro-beta-ionone is 192.15 g/mol.
Where can I buy Dihydrodehydro-beta-ionone?
You can request a quote for Dihydrodehydro-beta-ionone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dihydrodehydro-beta-ionone?
Yes, KEHONG BIO provides custom synthesis services for Dihydrodehydro-beta-ionone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.