![(4,8-Dioxo-4,8-dihydrobenzo[1,2-b:5,4-b']bisthiophen-2-yl)methyl acetate structure](/static/products/6562/656241-21-3.webp)
(4,8-Dioxo-4,8-dihydrobenzo[1,2-b:5,4-b']bisthiophen-2-yl)methyl acetate
TL;DR: (4,8-Dioxo-4,8-dihydrobenzo[1,2-b:5,4-b']bisthiophen-2-yl)methyl acetate (CAS 656241-21-3) is a chemical compound with molecular formula C13H8O4S2 and molecular weight 291.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4,8-dioxothieno[3,2-f][1]benzothiol-2-yl)methyl acetate
Also Known As: KST-1A7215, NCI60_019457, (4,8-dioxo-4,8-dihydrobenzo[1,2-b:5,4-b']bisthiophen-2-yl)methyl acetate, I06-2031, (4,8-dioxothieno[3,2-f][1]benzothiol-2-yl)methyl acetate
| Molecular Formula | C13H8O4S2 |
|---|---|
| Molecular Weight | 291.99 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 291.9864 |
| Heavy Atoms | 19 |
| Complexity | 436.0 |
Chemical Identifiers
| CAS Number | 656241-21-3 |
|---|---|
| SMILES | CC(=O)OCC1=CC2=C(S1)C(=O)C3=C(C2=O)C=CS3 |
| InChIKey | XMLWMBFZLBAVFQ-UHFFFAOYSA-N |
Product Overview
(4,8-Dioxo-4,8-dihydrobenzo[1,2-b:5,4-b']bisthiophen-2-yl)methyl acetate (CAS 656241-21-3), with molecular formula C13H8O4S2 and molecular weight 291.99 g/mol. IUPAC: (4,8-dioxothieno[3,2-f][1]benzothiol-2-yl)methyl acetate.
Chemical Property Profile of (4,8-Dioxo-4,8-dihydrobenzo[1,2-b:5,4-b']bisthiophen-2-yl)methyl acetate
Property Insights of (4,8-Dioxo-4,8-dihydrobenzo[1,2-b:5,4-b']bisthiophen-2-yl)methyl acetate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4,8-Dioxo-4,8-dihydrobenzo[1,2-b:5,4-b']bisthiophen-2-yl)methyl acetate. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (4,8-Dioxo-4,8-dihydrobenzo[1,2-b:5,4-b']bisthiophen-2-yl)methyl acetate. Following Lipinski's Rule of Five, (4,8-Dioxo-4,8-dihydrobenzo[1,2-b:5,4-b']bisthiophen-2-yl)methyl acetate has 0 hydrogen bond donor(s) and 6 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 (4,8-Dioxo-4,8-dihydrobenzo[1,2-b:5,4-b']bisthiophen-2-yl)methyl acetate?
The CAS number of (4,8-Dioxo-4,8-dihydrobenzo[1,2-b:5,4-b']bisthiophen-2-yl)methyl acetate is 656241-21-3.
What is the molecular formula of (4,8-Dioxo-4,8-dihydrobenzo[1,2-b:5,4-b']bisthiophen-2-yl)methyl acetate?
The molecular formula of (4,8-Dioxo-4,8-dihydrobenzo[1,2-b:5,4-b']bisthiophen-2-yl)methyl acetate is C13H8O4S2.
What is the molecular weight of (4,8-Dioxo-4,8-dihydrobenzo[1,2-b:5,4-b']bisthiophen-2-yl)methyl acetate?
The molecular weight of (4,8-Dioxo-4,8-dihydrobenzo[1,2-b:5,4-b']bisthiophen-2-yl)methyl acetate is 291.99 g/mol.
Where can I buy (4,8-Dioxo-4,8-dihydrobenzo[1,2-b:5,4-b']bisthiophen-2-yl)methyl acetate?
You can request a quote for (4,8-Dioxo-4,8-dihydrobenzo[1,2-b:5,4-b']bisthiophen-2-yl)methyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4,8-Dioxo-4,8-dihydrobenzo[1,2-b:5,4-b']bisthiophen-2-yl)methyl acetate?
Yes, KEHONG BIO provides custom synthesis services for (4,8-Dioxo-4,8-dihydrobenzo[1,2-b:5,4-b']bisthiophen-2-yl)methyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.