![11a-benzylsulfinyl-4-methyl-3,3-dioxo-2,5,5a,11b-tetrahydro-1H-naphtho[3,2-e][1]benzothiole-6,11-dione structure](/static/products/1252/125220-08-8.webp)
11a-benzylsulfinyl-4-methyl-3,3-dioxo-2,5,5a,11b-tetrahydro-1H-naphtho[3,2-e][1]benzothiole-6,11-dione
TL;DR: 11a-benzylsulfinyl-4-methyl-3,3-dioxo-2,5,5a,11b-tetrahydro-1H-naphtho[3,2-e][1]benzothiole-6,11-dione (CAS 125220-08-8) is a chemical compound with molecular formula C24H22O5S2 and molecular weight 454.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11a-benzylsulfinyl-4-methyl-3,3-dioxo-2,5,5a,11b-tetrahydro-1H-naphtho[3,2-e][1]benzothiole-6,11-dione
Also Known As: 11a-benzylsulfinyl-4-methyl-3,3-dioxo-2,5,5a,11b-tetrahydro-1H-naphtho[3,2-e][1]benzothiole-6,11-dione, Anthra(2,1-b)thiophene-6,11-dione, 1,2,5,5a,11a,11b-hexahydro-4-methyl-11a-((phenylmethyl)sulfinyl)-, 3,3-dioxide, 11a-(benzylsulfinyl)-4-methyl-1,5,5a,11b-tetrahydroanthra[2,1-b]thiophene-6,11(2H,11aH)-dione 3,3-dioxide, 4-Methyl-11a-(phenylmethanesulfinyl)-5,5a,11a,11b-tetrahydro-1H-3lambda~6~-anthra[2,1-b]thiophene-3,3,6,11(2H)-tetrone, BRN 4770944
| Molecular Formula | C24H22O5S2 |
|---|---|
| Molecular Weight | 454.09 g/mol |
| LogP | 3.4819 |
| Topological Polar Surface Area | 85.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 454.09088 |
| Heavy Atoms | 31 |
| Complexity | 1276.0577 |
Chemical Identifiers
| CAS Number | 125220-08-8 |
|---|---|
| SMILES | CC1=C2C(CCS2(=O)=O)C3(C(C1)C(=O)C4=CC=CC=C4C3=O)S(=O)CC5=CC=CC=C5 |
Product Overview
11a-benzylsulfinyl-4-methyl-3,3-dioxo-2,5,5a,11b-tetrahydro-1H-naphtho[3,2-e][1]benzothiole-6,11-dione (CAS 125220-08-8), with molecular formula C24H22O5S2 and molecular weight 454.09 g/mol. IUPAC: 11a-benzylsulfinyl-4-methyl-3,3-dioxo-2,5,5a,11b-tetrahydro-1H-naphtho[3,2-e][1]benzothiole-6,11-dione.
Chemical Property Profile of 11a-benzylsulfinyl-4-methyl-3,3-dioxo-2,5,5a,11b-tetrahydro-1H-naphtho[3,2-e][1]benzothiole-6,11-dione
Property Insights of 11a-benzylsulfinyl-4-methyl-3,3-dioxo-2,5,5a,11b-tetrahydro-1H-naphtho[3,2-e][1]benzothiole-6,11-dione
The XLogP value of 3.4819 indicates that 11a-benzylsulfinyl-4-methyl-3,3-dioxo-2,5,5a,11b-tetrahydro-1H-naphtho[3,2-e][1]benzothiole-6,11-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 11a-benzylsulfinyl-4-methyl-3,3-dioxo-2,5,5a,11b-tetrahydro-1H-naphtho[3,2-e][1]benzothiole-6,11-dione. Following Lipinski's Rule of Five, 11a-benzylsulfinyl-4-methyl-3,3-dioxo-2,5,5a,11b-tetrahydro-1H-naphtho[3,2-e][1]benzothiole-6,11-dione 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 11a-benzylsulfinyl-4-methyl-3,3-dioxo-2,5,5a,11b-tetrahydro-1H-naphtho[3,2-e][1]benzothiole-6,11-dione?
The CAS number of 11a-benzylsulfinyl-4-methyl-3,3-dioxo-2,5,5a,11b-tetrahydro-1H-naphtho[3,2-e][1]benzothiole-6,11-dione is 125220-08-8.
What is the molecular formula of 11a-benzylsulfinyl-4-methyl-3,3-dioxo-2,5,5a,11b-tetrahydro-1H-naphtho[3,2-e][1]benzothiole-6,11-dione?
The molecular formula of 11a-benzylsulfinyl-4-methyl-3,3-dioxo-2,5,5a,11b-tetrahydro-1H-naphtho[3,2-e][1]benzothiole-6,11-dione is C24H22O5S2.
What is the molecular weight of 11a-benzylsulfinyl-4-methyl-3,3-dioxo-2,5,5a,11b-tetrahydro-1H-naphtho[3,2-e][1]benzothiole-6,11-dione?
The molecular weight of 11a-benzylsulfinyl-4-methyl-3,3-dioxo-2,5,5a,11b-tetrahydro-1H-naphtho[3,2-e][1]benzothiole-6,11-dione is 454.09 g/mol.
Where can I buy 11a-benzylsulfinyl-4-methyl-3,3-dioxo-2,5,5a,11b-tetrahydro-1H-naphtho[3,2-e][1]benzothiole-6,11-dione?
You can request a quote for 11a-benzylsulfinyl-4-methyl-3,3-dioxo-2,5,5a,11b-tetrahydro-1H-naphtho[3,2-e][1]benzothiole-6,11-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11a-benzylsulfinyl-4-methyl-3,3-dioxo-2,5,5a,11b-tetrahydro-1H-naphtho[3,2-e][1]benzothiole-6,11-dione?
Yes, KEHONG BIO provides custom synthesis services for 11a-benzylsulfinyl-4-methyl-3,3-dioxo-2,5,5a,11b-tetrahydro-1H-naphtho[3,2-e][1]benzothiole-6,11-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.