Damascenone
TL;DR: Damascenone (CAS 23696-85-7) is a chemical compound with molecular formula C13H18O and molecular weight 190.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)but-2-en-1-one
Also Known As: Damascenone, b-damascenone, beta-Damascenone, 3,5,8-Megastigmatrien-7-one, 1-(2,6,6-Trimethylcyclohexa-1,3-dien-1-yl)but-2-en-1-one
| Molecular Formula | C13H18O |
|---|---|
| Molecular Weight | 190.14 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 190.13577 |
| Heavy Atoms | 14 |
| Complexity | 327.0 |
| Density | 0.945-0.952 (20°) |
| Solubility | 1 ml in 10 ml 95% alcohol (in ethanol) |
| Refractive Index | 1.508-1.514 |
Chemical Identifiers
| CAS Number | 23696-85-7 |
|---|---|
| SMILES | CC=CC(=O)C1=C(C=CCC1(C)C)C |
| InChIKey | POIARNZEYGURDG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Damascenone (CAS 23696-85-7), with molecular formula C13H18O and molecular weight 190.14 g/mol. IUPAC: 1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)but-2-en-1-one.
Chemical Property Profile of Damascenone
Property Insights of Damascenone
The XLogP value of 3.2 indicates that Damascenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, Damascenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Damascenone 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 Damascenone?
The CAS number of Damascenone is 23696-85-7.
What is the molecular formula of Damascenone?
The molecular formula of Damascenone is C13H18O.
What is the molecular weight of Damascenone?
The molecular weight of Damascenone is 190.14 g/mol.
Where can I buy Damascenone?
You can request a quote for Damascenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Damascenone?
Yes, KEHONG BIO provides custom synthesis services for Damascenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.