2,7-Dimethyl-4H-dithieno(2,3-b:2,3-d)pyran-4-one
TL;DR: 2,7-Dimethyl-4H-dithieno(2,3-b:2,3-d)pyran-4-one (CAS 87447-48-1) is a chemical compound with molecular formula C11H8O2S2 and molecular weight 236.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,11-dimethyl-8-oxa-3,10-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,11-tetraen-7-one
Also Known As: 2,7-Dimethyl-4H-dithieno(2,3-b:2,3-d)pyran-4-one, 2,7-dimethyldithieno[[?],[?]]pyran-4-one, 2,7-dimethyldithieno[2,3-a:3',2'-d]pyran-4-one, 2,7-Dimethyl-4H-dithieno[2,3-b:2,3-d]pyran-4-one, 2,7-Dimethyl-4H-bisthieno[2,3-b:2',3'-d]pyran-4-one
| Molecular Formula | C11H8O2S2 |
|---|---|
| Molecular Weight | 236.00 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 82.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 235.99657 |
| Heavy Atoms | 15 |
| Complexity | 294.0 |
Chemical Identifiers
| CAS Number | 87447-48-1 |
|---|---|
| SMILES | CC1=CC2=C(S1)C3=C(OC2=O)SC(=C3)C |
| InChIKey | IWUIRYNXMIXVJQ-UHFFFAOYSA-N |
Product Overview
2,7-Dimethyl-4H-dithieno(2,3-b:2,3-d)pyran-4-one (CAS 87447-48-1), with molecular formula C11H8O2S2 and molecular weight 236.00 g/mol. IUPAC: 4,11-dimethyl-8-oxa-3,10-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,11-tetraen-7-one.
Chemical Property Profile of 2,7-Dimethyl-4H-dithieno(2,3-b:2,3-d)pyran-4-one
Property Insights of 2,7-Dimethyl-4H-dithieno(2,3-b:2,3-d)pyran-4-one
The XLogP value of 3.6 indicates that 2,7-Dimethyl-4H-dithieno(2,3-b:2,3-d)pyran-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,7-Dimethyl-4H-dithieno(2,3-b:2,3-d)pyran-4-one. Following Lipinski's Rule of Five, 2,7-Dimethyl-4H-dithieno(2,3-b:2,3-d)pyran-4-one has 0 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 2,7-Dimethyl-4H-dithieno(2,3-b:2,3-d)pyran-4-one?
The CAS number of 2,7-Dimethyl-4H-dithieno(2,3-b:2,3-d)pyran-4-one is 87447-48-1.
What is the molecular formula of 2,7-Dimethyl-4H-dithieno(2,3-b:2,3-d)pyran-4-one?
The molecular formula of 2,7-Dimethyl-4H-dithieno(2,3-b:2,3-d)pyran-4-one is C11H8O2S2.
What is the molecular weight of 2,7-Dimethyl-4H-dithieno(2,3-b:2,3-d)pyran-4-one?
The molecular weight of 2,7-Dimethyl-4H-dithieno(2,3-b:2,3-d)pyran-4-one is 236.00 g/mol.
Where can I buy 2,7-Dimethyl-4H-dithieno(2,3-b:2,3-d)pyran-4-one?
You can request a quote for 2,7-Dimethyl-4H-dithieno(2,3-b:2,3-d)pyran-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,7-Dimethyl-4H-dithieno(2,3-b:2,3-d)pyran-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2,7-Dimethyl-4H-dithieno(2,3-b:2,3-d)pyran-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.