Thespesone
TL;DR: Thespesone (CAS 85889-26-5) is a chemical compound with molecular formula C15H14O4 and molecular weight 258.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-hydroxy-1,5,8-trimethyl-1,2-dihydrobenzo[e][1]benzofuran-6,7-dione
Also Known As: Thespesone, Thespesenone, J2.097.647K, 9-hydroxy-1,5,8-trimethyl-1,2-dihydrobenzo[e][1]benzofuran-6,7-dione, (-)-1,2-Dihydro-7-hydroxy-1,5,8-trimethylnaphtho[2,1-b]furan-6,9-dione
| Molecular Formula | C15H14O4 |
|---|---|
| Molecular Weight | 258.09 g/mol |
| LogP | 2.54532 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 258.0892 |
| Heavy Atoms | 19 |
| Complexity | 667.21344 |
Chemical Identifiers
| CAS Number | 85889-26-5 |
|---|---|
| SMILES | CC1COC2=C1C3=C(C(=C2)C)C(=O)C(=O)C(=C3O)C |
Product Overview
Thespesone (CAS 85889-26-5), with molecular formula C15H14O4 and molecular weight 258.09 g/mol. IUPAC: 9-hydroxy-1,5,8-trimethyl-1,2-dihydrobenzo[e][1]benzofuran-6,7-dione.
Chemical Property Profile of Thespesone
Property Insights of Thespesone
The XLogP value of 2.54532 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thespesone. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Thespesone. Following Lipinski's Rule of Five, Thespesone has 1 hydrogen bond donor(s) and 4 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 Thespesone?
The CAS number of Thespesone is 85889-26-5.
What is the molecular formula of Thespesone?
The molecular formula of Thespesone is C15H14O4.
What is the molecular weight of Thespesone?
The molecular weight of Thespesone is 258.09 g/mol.
Where can I buy Thespesone?
You can request a quote for Thespesone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thespesone?
Yes, KEHONG BIO provides custom synthesis services for Thespesone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.