Dehydroelsholtzia ketone
TL;DR: Dehydroelsholtzia ketone (CAS 6138-88-1) is a chemical compound with molecular formula C10H12O2 and molecular weight 164.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1-(3-methylfuran-2-yl)but-2-en-1-one
Also Known As: Naginata ketone, Naginataketone, Dehydroelsholtzione, Dehydroelsholtzia ketone, beta-dehydro elsholizione
| Molecular Formula | C10H12O2 |
|---|---|
| Molecular Weight | 164.08 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 30.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 164.08372 |
| Heavy Atoms | 12 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 6138-88-1 |
|---|---|
| SMILES | CC1=C(OC=C1)C(=O)C=C(C)C |
| InChIKey | XWFVDCOWPBJQFH-UHFFFAOYSA-N |
Product Overview
Dehydroelsholtzia ketone (CAS 6138-88-1), with molecular formula C10H12O2 and molecular weight 164.08 g/mol. IUPAC: 3-methyl-1-(3-methylfuran-2-yl)but-2-en-1-one.
Chemical Property Profile of Dehydroelsholtzia ketone
Property Insights of Dehydroelsholtzia ketone
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dehydroelsholtzia ketone. With a topological polar surface area (TPSA) of 30.2 Ų, Dehydroelsholtzia ketone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dehydroelsholtzia ketone has 0 hydrogen bond donor(s) and 2 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 Dehydroelsholtzia ketone?
The CAS number of Dehydroelsholtzia ketone is 6138-88-1.
What is the molecular formula of Dehydroelsholtzia ketone?
The molecular formula of Dehydroelsholtzia ketone is C10H12O2.
What is the molecular weight of Dehydroelsholtzia ketone?
The molecular weight of Dehydroelsholtzia ketone is 164.08 g/mol.
Where can I buy Dehydroelsholtzia ketone?
You can request a quote for Dehydroelsholtzia ketone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dehydroelsholtzia ketone?
Yes, KEHONG BIO provides custom synthesis services for Dehydroelsholtzia ketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.