![4-Methyl-1,2,5,11b-tetrahydroanthra[2,1-b]thiophene-6,11-dione 3,3-dioxide structure](/static/products/125/125220-11-3.png)
4-Methyl-1,2,5,11b-tetrahydroanthra[2,1-b]thiophene-6,11-dione 3,3-dioxide
TL;DR: 4-Methyl-1,2,5,11b-tetrahydroanthra[2,1-b]thiophene-6,11-dione 3,3-dioxide (CAS 125220-11-3) is a chemical compound with molecular formula C17H14O4S and molecular weight 314.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-3,3-dioxo-1,2,5,11b-tetrahydronaphtho[3,2-e][1]benzothiole-6,11-dione
Also Known As: 4-methyl-1,11b-dihydroanthra[2,1-b]thiophene-6,11(2H,5H)-dione 3,3-dioxide, 4-methyl-1,2,5,11b-tetrahydroanthra[2,1-b]thiophene-6,11-dione 3,3-dioxide, 4-methyl-3,3-dioxo-1,2,5,11b-tetrahydronaphtho[3,2-e][1]benzothiole-6,11-dione
| Molecular Formula | C17H14O4S |
|---|---|
| Molecular Weight | 314.06 g/mol |
| LogP | 2.4746 |
| Topological Polar Surface Area | 68.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 314.06128 |
| Heavy Atoms | 22 |
| Complexity | 915.73224 |
Chemical Identifiers
| CAS Number | 125220-11-3 |
|---|---|
| SMILES | CC1=C2C(CCS2(=O)=O)C3=C(C1)C(=O)C4=CC=CC=C4C3=O |
Product Overview
4-Methyl-1,2,5,11b-tetrahydroanthra[2,1-b]thiophene-6,11-dione 3,3-dioxide (CAS 125220-11-3), with molecular formula C17H14O4S and molecular weight 314.06 g/mol. IUPAC: 4-methyl-3,3-dioxo-1,2,5,11b-tetrahydronaphtho[3,2-e][1]benzothiole-6,11-dione.
Chemical Property Profile of 4-Methyl-1,2,5,11b-tetrahydroanthra[2,1-b]thiophene-6,11-dione 3,3-dioxide
Property Insights of 4-Methyl-1,2,5,11b-tetrahydroanthra[2,1-b]thiophene-6,11-dione 3,3-dioxide
The XLogP value of 2.4746 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-1,2,5,11b-tetrahydroanthra[2,1-b]thiophene-6,11-dione 3,3-dioxide. The TPSA of 68.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methyl-1,2,5,11b-tetrahydroanthra[2,1-b]thiophene-6,11-dione 3,3-dioxide. Following Lipinski's Rule of Five, 4-Methyl-1,2,5,11b-tetrahydroanthra[2,1-b]thiophene-6,11-dione 3,3-dioxide 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 4-Methyl-1,2,5,11b-tetrahydroanthra[2,1-b]thiophene-6,11-dione 3,3-dioxide?
The CAS number of 4-Methyl-1,2,5,11b-tetrahydroanthra[2,1-b]thiophene-6,11-dione 3,3-dioxide is 125220-11-3.
What is the molecular formula of 4-Methyl-1,2,5,11b-tetrahydroanthra[2,1-b]thiophene-6,11-dione 3,3-dioxide?
The molecular formula of 4-Methyl-1,2,5,11b-tetrahydroanthra[2,1-b]thiophene-6,11-dione 3,3-dioxide is C17H14O4S.
What is the molecular weight of 4-Methyl-1,2,5,11b-tetrahydroanthra[2,1-b]thiophene-6,11-dione 3,3-dioxide?
The molecular weight of 4-Methyl-1,2,5,11b-tetrahydroanthra[2,1-b]thiophene-6,11-dione 3,3-dioxide is 314.06 g/mol.
Where can I buy 4-Methyl-1,2,5,11b-tetrahydroanthra[2,1-b]thiophene-6,11-dione 3,3-dioxide?
You can request a quote for 4-Methyl-1,2,5,11b-tetrahydroanthra[2,1-b]thiophene-6,11-dione 3,3-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-1,2,5,11b-tetrahydroanthra[2,1-b]thiophene-6,11-dione 3,3-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-1,2,5,11b-tetrahydroanthra[2,1-b]thiophene-6,11-dione 3,3-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.