dl-alpha-Dunnione
TL;DR: dl-alpha-Dunnione (CAS 83156-01-8) is a chemical compound with molecular formula C15H14O3 and molecular weight 242.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,3-trimethyl-2H-benzo[f][1]benzofuran-4,9-dione
Also Known As: dl-.alpha.-Dunnione, ALPHA-DUNNIONE, NCIOpen2_006605, 2,3,3-trimethyl-2H-benzo[f]benzofuran-4,9-dione, 2,3,3-trimethyl-2H-benzo[f][1]benzofuran-4,9-dione
| Molecular Formula | C15H14O3 |
|---|---|
| Molecular Weight | 242.09 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 242.0943 |
| Heavy Atoms | 18 |
| Complexity | 458.0 |
Chemical Identifiers
| CAS Number | 83156-01-8 |
|---|---|
| SMILES | CC1C(C2=C(O1)C(=O)C3=CC=CC=C3C2=O)(C)C |
| InChIKey | XWPLFOWMVZGBOX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
dl-alpha-Dunnione (CAS 83156-01-8), with molecular formula C15H14O3 and molecular weight 242.09 g/mol. IUPAC: 2,3,3-trimethyl-2H-benzo[f][1]benzofuran-4,9-dione.
Chemical Property Profile of dl-alpha-Dunnione
Property Insights of dl-alpha-Dunnione
The XLogP value of 3.0 indicates that dl-alpha-Dunnione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, dl-alpha-Dunnione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, dl-alpha-Dunnione has 0 hydrogen bond donor(s) and 3 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 dl-alpha-Dunnione?
The CAS number of dl-alpha-Dunnione is 83156-01-8.
What is the molecular formula of dl-alpha-Dunnione?
The molecular formula of dl-alpha-Dunnione is C15H14O3.
What is the molecular weight of dl-alpha-Dunnione?
The molecular weight of dl-alpha-Dunnione is 242.09 g/mol.
Where can I buy dl-alpha-Dunnione?
You can request a quote for dl-alpha-Dunnione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dl-alpha-Dunnione?
Yes, KEHONG BIO provides custom synthesis services for dl-alpha-Dunnione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.