1,4,5,7-Tetramethyl-2,3-dithia-5,7-diazabicyclo(2.2.2)octane-6,8-dione
TL;DR: 1,4,5,7-Tetramethyl-2,3-dithia-5,7-diazabicyclo(2.2.2)octane-6,8-dione (CAS 53338-36-6) is a chemical compound with molecular formula C8H12N2O2S2 and molecular weight 232.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4,5,7-tetramethyl-2,3-dithia-5,7-diazabicyclo[2.2.2]octane-6,8-dione
Also Known As: 1,4,5,7-Tetramethyl-2,3-dithia-5,7-diazabicyclo(2.2.2)octane-6,8-dione, 1,4,6,8-tetramethyl-2,3-dithia-6,8-diazabicyclo[2.2.2]octane-5,7-dione, 1,4,5,7-Tetramethyl-2,3-dithia-5,7-diazabicyclo[2.2.2]octane-6,8-dione, 1,2,4-Thiadiazole,3,5-bis[(1,1,3,3-tetramethylbutyl)dithio], 1,4,6,8-tetramethyl-2,3-dithia-6,8-diazabicyclo[2.2.2]octane
| Molecular Formula | C8H12N2O2S2 |
|---|---|
| Molecular Weight | 232.03 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 91.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 232.03403 |
| Heavy Atoms | 14 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 53338-36-6 |
|---|---|
| SMILES | CC12C(=O)N(C(C(=O)N1C)(SS2)C)C |
| InChIKey | JNACNFRANQECFU-UHFFFAOYSA-N |
Product Overview
1,4,5,7-Tetramethyl-2,3-dithia-5,7-diazabicyclo(2.2.2)octane-6,8-dione (CAS 53338-36-6), with molecular formula C8H12N2O2S2 and molecular weight 232.03 g/mol. IUPAC: 1,4,5,7-tetramethyl-2,3-dithia-5,7-diazabicyclo[2.2.2]octane-6,8-dione.
Chemical Property Profile of 1,4,5,7-Tetramethyl-2,3-dithia-5,7-diazabicyclo(2.2.2)octane-6,8-dione
Property Insights of 1,4,5,7-Tetramethyl-2,3-dithia-5,7-diazabicyclo(2.2.2)octane-6,8-dione
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4,5,7-Tetramethyl-2,3-dithia-5,7-diazabicyclo(2.2.2)octane-6,8-dione. The TPSA of 91.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4,5,7-Tetramethyl-2,3-dithia-5,7-diazabicyclo(2.2.2)octane-6,8-dione. Following Lipinski's Rule of Five, 1,4,5,7-Tetramethyl-2,3-dithia-5,7-diazabicyclo(2.2.2)octane-6,8-dione 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 1,4,5,7-Tetramethyl-2,3-dithia-5,7-diazabicyclo(2.2.2)octane-6,8-dione?
The CAS number of 1,4,5,7-Tetramethyl-2,3-dithia-5,7-diazabicyclo(2.2.2)octane-6,8-dione is 53338-36-6.
What is the molecular formula of 1,4,5,7-Tetramethyl-2,3-dithia-5,7-diazabicyclo(2.2.2)octane-6,8-dione?
The molecular formula of 1,4,5,7-Tetramethyl-2,3-dithia-5,7-diazabicyclo(2.2.2)octane-6,8-dione is C8H12N2O2S2.
What is the molecular weight of 1,4,5,7-Tetramethyl-2,3-dithia-5,7-diazabicyclo(2.2.2)octane-6,8-dione?
The molecular weight of 1,4,5,7-Tetramethyl-2,3-dithia-5,7-diazabicyclo(2.2.2)octane-6,8-dione is 232.03 g/mol.
Where can I buy 1,4,5,7-Tetramethyl-2,3-dithia-5,7-diazabicyclo(2.2.2)octane-6,8-dione?
You can request a quote for 1,4,5,7-Tetramethyl-2,3-dithia-5,7-diazabicyclo(2.2.2)octane-6,8-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4,5,7-Tetramethyl-2,3-dithia-5,7-diazabicyclo(2.2.2)octane-6,8-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,4,5,7-Tetramethyl-2,3-dithia-5,7-diazabicyclo(2.2.2)octane-6,8-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.