Thespone
TL;DR: Thespone (CAS 85889-25-4) is a chemical compound with molecular formula C15H12O3 and molecular weight 240.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,5,8-trimethylbenzo[e][1]benzofuran-6,7-dione
Also Known As: Thespone, 1,5,8-trimethylbenzo[e][1]benzofuran-6,7-dione, 1,5,8-trimethylbenzo(e)(1)benzofuran-6,7-dione, 1,5,8-TRIMETHYLNAPHTHO[2,1-B]FURAN-6,7-DIONE, 1,5,8-TRIMETHYL-6H,7H-NAPHTHO[2,1-B]FURAN-6,7-DIONE
| Molecular Formula | C15H12O3 |
|---|---|
| Molecular Weight | 240.08 g/mol |
| LogP | 3.21834 |
| Topological Polar Surface Area | 47.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 240.07864 |
| Heavy Atoms | 18 |
| Complexity | 744.67474 |
Chemical Identifiers
| CAS Number | 85889-25-4 |
|---|---|
| SMILES | CC1=CC2=C(C(=CC3=C2C(=CO3)C)C)C(=O)C1=O |
Product Overview
Thespone (CAS 85889-25-4), with molecular formula C15H12O3 and molecular weight 240.08 g/mol. IUPAC: 1,5,8-trimethylbenzo[e][1]benzofuran-6,7-dione.
Chemical Property Profile of Thespone
Property Insights of Thespone
The XLogP value of 3.21834 indicates that Thespone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.28 Ų, Thespone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thespone 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 Thespone?
The CAS number of Thespone is 85889-25-4.
What is the molecular formula of Thespone?
The molecular formula of Thespone is C15H12O3.
What is the molecular weight of Thespone?
The molecular weight of Thespone is 240.08 g/mol.
Where can I buy Thespone?
You can request a quote for Thespone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thespone?
Yes, KEHONG BIO provides custom synthesis services for Thespone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.