![Dibenzo[b,i]thianthrene-5,7,12,14-tetraone structure](/static/products/2163/21634-42-4.webp)
Dibenzo[b,i]thianthrene-5,7,12,14-tetraone
TL;DR: Dibenzo[b,i]thianthrene-5,7,12,14-tetraone (CAS 21634-42-4) is a chemical compound with molecular formula C20H8O4S2 and molecular weight 375.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,13-dithiapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3(12),5,7,9,16,18,20-octaene-4,11,15,22-tetrone
Also Known As: Dithianon metabolite, Dibenzo[b,i]thianthrene-5,7,12,14-tetrone, D4 (CL 66629), 6,13-Dithiapentacene-5,7,12,14-tetraone, Dibenzo[b,i]thianthrene-5,7,12,14-tetraone
| Molecular Formula | C20H8O4S2 |
|---|---|
| Molecular Weight | 375.99 g/mol |
| LogP | 3.301 |
| Topological Polar Surface Area | 68.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 375.9864 |
| Heavy Atoms | 26 |
| Complexity | 1373.8037 |
Chemical Identifiers
| CAS Number | 21634-42-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)SC4=C(S3)C(=O)C5=CC=CC=C5C4=O |
Product Overview
Dibenzo[b,i]thianthrene-5,7,12,14-tetraone (CAS 21634-42-4), with molecular formula C20H8O4S2 and molecular weight 375.99 g/mol. IUPAC: 2,13-dithiapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3(12),5,7,9,16,18,20-octaene-4,11,15,22-tetrone.
Chemical Property Profile of Dibenzo[b,i]thianthrene-5,7,12,14-tetraone
Property Insights of Dibenzo[b,i]thianthrene-5,7,12,14-tetraone
The XLogP value of 3.301 indicates that Dibenzo[b,i]thianthrene-5,7,12,14-tetraone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.28 Ų falls within the moderate polarity range, balancing permeability and solubility for Dibenzo[b,i]thianthrene-5,7,12,14-tetraone. Following Lipinski's Rule of Five, Dibenzo[b,i]thianthrene-5,7,12,14-tetraone 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 Dibenzo[b,i]thianthrene-5,7,12,14-tetraone?
The CAS number of Dibenzo[b,i]thianthrene-5,7,12,14-tetraone is 21634-42-4.
What is the molecular formula of Dibenzo[b,i]thianthrene-5,7,12,14-tetraone?
The molecular formula of Dibenzo[b,i]thianthrene-5,7,12,14-tetraone is C20H8O4S2.
What is the molecular weight of Dibenzo[b,i]thianthrene-5,7,12,14-tetraone?
The molecular weight of Dibenzo[b,i]thianthrene-5,7,12,14-tetraone is 375.99 g/mol.
Where can I buy Dibenzo[b,i]thianthrene-5,7,12,14-tetraone?
You can request a quote for Dibenzo[b,i]thianthrene-5,7,12,14-tetraone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibenzo[b,i]thianthrene-5,7,12,14-tetraone?
Yes, KEHONG BIO provides custom synthesis services for Dibenzo[b,i]thianthrene-5,7,12,14-tetraone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.