![(7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl) benzoate structure](/static/products/3387/338776-89-9.webp)
(7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl) benzoate
TL;DR: (7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl) benzoate (CAS 338776-89-9) is a chemical compound with molecular formula C14H12O4S2 and molecular weight 308.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl) benzoate
Also Known As: 1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-thieno[2,3-b]thiopyran-4-yl benzenecarboxylate, (7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl) benzoate, 1,1-dioxo-2H,3H,4H-1lambda6-thieno[2,3-b]thiopyran-4-yl benzoate, 1,1-DIOXO-1,2,3,4-TETRAHYDRO-1LAMBDA6-THIENO[2,3-B]THIOPYRAN-4-YL BENZENECARBOXYLATE
| Molecular Formula | C14H12O4S2 |
|---|---|
| Molecular Weight | 308.02 g/mol |
| LogP | 2.8236 |
| Topological Polar Surface Area | 60.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 308.0177 |
| Heavy Atoms | 20 |
| Complexity | 731.5442 |
Chemical Identifiers
| CAS Number | 338776-89-9 |
|---|---|
| SMILES | C1CS(=O)(=O)C2=C(C1OC(=O)C3=CC=CC=C3)C=CS2 |
Product Overview
(7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl) benzoate (CAS 338776-89-9), with molecular formula C14H12O4S2 and molecular weight 308.02 g/mol. IUPAC: (7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl) benzoate.
Chemical Property Profile of (7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl) benzoate
Property Insights of (7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl) benzoate
The XLogP value of 2.8236 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl) benzoate. The TPSA of 60.44 Ų falls within the moderate polarity range, balancing permeability and solubility for (7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl) benzoate. Following Lipinski's Rule of Five, (7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl) benzoate has 0 hydrogen bond donor(s) and 5 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 (7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl) benzoate?
The CAS number of (7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl) benzoate is 338776-89-9.
What is the molecular formula of (7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl) benzoate?
The molecular formula of (7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl) benzoate is C14H12O4S2.
What is the molecular weight of (7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl) benzoate?
The molecular weight of (7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl) benzoate is 308.02 g/mol.
Where can I buy (7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl) benzoate?
You can request a quote for (7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl) benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl) benzoate?
Yes, KEHONG BIO provides custom synthesis services for (7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl) benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.