Anthra(2,1-b)thiophene-6,11-dione, 1,2,5,5a,11a,11b-hexahydro-4-methyl-11a-((1-methylethyl)sulfinyl)-, 3,3-dioxide
TL;DR: Anthra(2,1-b)thiophene-6,11-dione, 1,2,5,5a,11a,11b-hexahydro-4-methyl-11a-((1-methylethyl)sulfinyl)-, 3,3-dioxide (CAS 125220-10-2) is a chemical compound with molecular formula C20H22O5S2 and molecular weight 406.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-3,3-dioxo-11a-propan-2-ylsulfinyl-2,5,5a,11b-tetrahydro-1H-naphtho[3,2-e][1]benzothiole-6,11-dione
Also Known As: Anthra(2,1-b)thiophene-6,11-dione, 1,2,5,5a,11a,11b-hexahydro-4-methyl-11a-((1-methylethyl)sulfinyl)-, 3,3-dioxide, 4-methyl-3,3-dioxo-11a-propan-2-ylsulfinyl-2,5,5a,11b-tetrahydro-1H-naphtho[3,2-e][1]benzothiole-6,11-dione, (5aS,11aS,11bS)-4-methyl-3,3-dioxo-11a-[(S)-propan-2-ylsulfinyl]-2,5,5a,11b-tetrahydro-1H-naphtho[3,2-e][1]benzothiole-6,11-dione, 4-Methyl-11a-(propane-2-sulfinyl)-5,5a,11a,11b-tetrahydro-1H-3lambda~6~-anthra[2,1-b]thiophene-3,3,6,11(2H)-tetrone, BRN 4769233
| Molecular Formula | C20H22O5S2 |
|---|---|
| Molecular Weight | 406.09 g/mol |
| LogP | 2.6901 |
| Topological Polar Surface Area | 85.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 406.09088 |
| Heavy Atoms | 27 |
| Complexity | 1034.2068 |
Chemical Identifiers
| CAS Number | 125220-10-2 |
|---|---|
| SMILES | CC1=C2C(CCS2(=O)=O)C3(C(C1)C(=O)C4=CC=CC=C4C3=O)S(=O)C(C)C |
Product Overview
Anthra(2,1-b)thiophene-6,11-dione, 1,2,5,5a,11a,11b-hexahydro-4-methyl-11a-((1-methylethyl)sulfinyl)-, 3,3-dioxide (CAS 125220-10-2), with molecular formula C20H22O5S2 and molecular weight 406.09 g/mol. IUPAC: 4-methyl-3,3-dioxo-11a-propan-2-ylsulfinyl-2,5,5a,11b-tetrahydro-1H-naphtho[3,2-e][1]benzothiole-6,11-dione.
Chemical Property Profile of Anthra(2,1-b)thiophene-6,11-dione, 1,2,5,5a,11a,11b-hexahydro-4-methyl-11a-((1-methylethyl)sulfinyl)-, 3,3-dioxide
Property Insights of Anthra(2,1-b)thiophene-6,11-dione, 1,2,5,5a,11a,11b-hexahydro-4-methyl-11a-((1-methylethyl)sulfinyl)-, 3,3-dioxide
The XLogP value of 2.6901 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Anthra(2,1-b)thiophene-6,11-dione, 1,2,5,5a,11a,11b-hexahydro-4-methyl-11a-((1-methylethyl)sulfinyl)-, 3,3-dioxide. The TPSA of 85.35 Ų falls within the moderate polarity range, balancing permeability and solubility for Anthra(2,1-b)thiophene-6,11-dione, 1,2,5,5a,11a,11b-hexahydro-4-methyl-11a-((1-methylethyl)sulfinyl)-, 3,3-dioxide. Following Lipinski's Rule of Five, Anthra(2,1-b)thiophene-6,11-dione, 1,2,5,5a,11a,11b-hexahydro-4-methyl-11a-((1-methylethyl)sulfinyl)-, 3,3-dioxide 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 Anthra(2,1-b)thiophene-6,11-dione, 1,2,5,5a,11a,11b-hexahydro-4-methyl-11a-((1-methylethyl)sulfinyl)-, 3,3-dioxide?
The CAS number of Anthra(2,1-b)thiophene-6,11-dione, 1,2,5,5a,11a,11b-hexahydro-4-methyl-11a-((1-methylethyl)sulfinyl)-, 3,3-dioxide is 125220-10-2.
What is the molecular formula of Anthra(2,1-b)thiophene-6,11-dione, 1,2,5,5a,11a,11b-hexahydro-4-methyl-11a-((1-methylethyl)sulfinyl)-, 3,3-dioxide?
The molecular formula of Anthra(2,1-b)thiophene-6,11-dione, 1,2,5,5a,11a,11b-hexahydro-4-methyl-11a-((1-methylethyl)sulfinyl)-, 3,3-dioxide is C20H22O5S2.
What is the molecular weight of Anthra(2,1-b)thiophene-6,11-dione, 1,2,5,5a,11a,11b-hexahydro-4-methyl-11a-((1-methylethyl)sulfinyl)-, 3,3-dioxide?
The molecular weight of Anthra(2,1-b)thiophene-6,11-dione, 1,2,5,5a,11a,11b-hexahydro-4-methyl-11a-((1-methylethyl)sulfinyl)-, 3,3-dioxide is 406.09 g/mol.
Where can I buy Anthra(2,1-b)thiophene-6,11-dione, 1,2,5,5a,11a,11b-hexahydro-4-methyl-11a-((1-methylethyl)sulfinyl)-, 3,3-dioxide?
You can request a quote for Anthra(2,1-b)thiophene-6,11-dione, 1,2,5,5a,11a,11b-hexahydro-4-methyl-11a-((1-methylethyl)sulfinyl)-, 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 Anthra(2,1-b)thiophene-6,11-dione, 1,2,5,5a,11a,11b-hexahydro-4-methyl-11a-((1-methylethyl)sulfinyl)-, 3,3-dioxide?
Yes, KEHONG BIO provides custom synthesis services for Anthra(2,1-b)thiophene-6,11-dione, 1,2,5,5a,11a,11b-hexahydro-4-methyl-11a-((1-methylethyl)sulfinyl)-, 3,3-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.