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5a,6a,12a,13a-Tetrahydro-dibenzo[b,i]thianthrene-5,7,12,14-tetrone
TL;DR: 5a,6a,12a,13a-Tetrahydro-dibenzo[b,i]thianthrene-5,7,12,14-tetrone (CAS 229949-64-8) is a chemical compound with molecular formula C20H12O4S2 and molecular weight 380.02 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-5,7,9,16,18,20-hexaene-4,11,15,22-tetrone
Also Known As: 5a,6a,12a,13a-Tetrahydro-dibenzo[b,i]thianthrene-5,7,12,14-tetrone, Dibenzo[b,i]thianthrene-5,7,12,14(5aH,6aH,12aH,13aH)-tetraone, 2,13-dithiapentacyclo[12.8.0.03,12.05,10.016,21]docosa-5,7,9,16,18,20-hexaene-4,11,15,22-tetrone, Dibenzo[b,i]thianthrene-5,7,12,14-tetrone, 5a,6a,12a,13a-tetrahydro-, 5a,6a,12a,13a-Tetrahydrodibenzo[b,i]thianthrene-5,7,12,14-tetrone
| Molecular Formula | C20H12O4S2 |
|---|---|
| Molecular Weight | 380.02 g/mol |
| LogP | 3.0992 |
| Topological Polar Surface Area | 68.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 380.0177 |
| Heavy Atoms | 26 |
| Complexity | 852.87573 |
Chemical Identifiers
| CAS Number | 229949-64-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3C(C2=O)SC4C(S3)C(=O)C5=CC=CC=C5C4=O |
Product Overview
5a,6a,12a,13a-Tetrahydro-dibenzo[b,i]thianthrene-5,7,12,14-tetrone (CAS 229949-64-8), with molecular formula C20H12O4S2 and molecular weight 380.02 g/mol. IUPAC: 2,13-dithiapentacyclo[12.8.0.03,12.05,10.016,21]docosa-5,7,9,16,18,20-hexaene-4,11,15,22-tetrone.
Chemical Property Profile of 5a,6a,12a,13a-Tetrahydro-dibenzo[b,i]thianthrene-5,7,12,14-tetrone
Property Insights of 5a,6a,12a,13a-Tetrahydro-dibenzo[b,i]thianthrene-5,7,12,14-tetrone
The XLogP value of 3.0992 indicates that 5a,6a,12a,13a-Tetrahydro-dibenzo[b,i]thianthrene-5,7,12,14-tetrone 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 5a,6a,12a,13a-Tetrahydro-dibenzo[b,i]thianthrene-5,7,12,14-tetrone. Following Lipinski's Rule of Five, 5a,6a,12a,13a-Tetrahydro-dibenzo[b,i]thianthrene-5,7,12,14-tetrone 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 5a,6a,12a,13a-Tetrahydro-dibenzo[b,i]thianthrene-5,7,12,14-tetrone?
The CAS number of 5a,6a,12a,13a-Tetrahydro-dibenzo[b,i]thianthrene-5,7,12,14-tetrone is 229949-64-8.
What is the molecular formula of 5a,6a,12a,13a-Tetrahydro-dibenzo[b,i]thianthrene-5,7,12,14-tetrone?
The molecular formula of 5a,6a,12a,13a-Tetrahydro-dibenzo[b,i]thianthrene-5,7,12,14-tetrone is C20H12O4S2.
What is the molecular weight of 5a,6a,12a,13a-Tetrahydro-dibenzo[b,i]thianthrene-5,7,12,14-tetrone?
The molecular weight of 5a,6a,12a,13a-Tetrahydro-dibenzo[b,i]thianthrene-5,7,12,14-tetrone is 380.02 g/mol.
Where can I buy 5a,6a,12a,13a-Tetrahydro-dibenzo[b,i]thianthrene-5,7,12,14-tetrone?
You can request a quote for 5a,6a,12a,13a-Tetrahydro-dibenzo[b,i]thianthrene-5,7,12,14-tetrone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5a,6a,12a,13a-Tetrahydro-dibenzo[b,i]thianthrene-5,7,12,14-tetrone?
Yes, KEHONG BIO provides custom synthesis services for 5a,6a,12a,13a-Tetrahydro-dibenzo[b,i]thianthrene-5,7,12,14-tetrone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.