BAS 00444121
TL;DR: BAS 00444121 (CAS 16085-51-1) is a chemical compound with molecular formula C8H14N4S2 and molecular weight 230.066 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,3,7,7-tetramethyl-2,6-dihydro-[1,2,4]triazolo[1,2-a][1,2,4]triazole-1,5-dithione
Also Known As: BAS 00444121, J3.249.373D, 3,3,7,7-tetramethyl-hexahydro-[1,2,4]triazolo[1,2-a][1,2,4]triazole-1,5-dithione, 1,1,5,5-tetramethyl-1H,5H-[1,2,4]triazolo[1,2-a][1,2,4]triazole-3,7-dithiol, 1,2,4-Triazolo[1,2-a](1,2,4)triazole, 1,1,4,4-tetramethyl-3,6-dimercapto-
Technical Specifications
| Molecular Formula | C8H14N4S2 |
| Molecular Weight | 230.066 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 94.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 230.066 Da |
| Heavy Atoms | 14 |
| Complexity | 291.0 |
| SMILES | CC1(NC(=S)N2N1C(=S)NC2(C)C)C |
| InChIKey | HZSNLBXLJKPULH-UHFFFAOYSA-N |
Chemical Property Profile of BAS 00444121
Property Insights of BAS 00444121
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00444121. The TPSA of 94.7 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00444121. Following Lipinski's Rule of Five, BAS 00444121 has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of BAS 00444121?
The CAS number of BAS 00444121 is 16085-51-1.
What is the molecular formula of BAS 00444121?
The molecular formula of BAS 00444121 is C8H14N4S2.
What is the molecular weight of BAS 00444121?
The molecular weight of BAS 00444121 is 230.066 g/mol.
Where can I buy BAS 00444121?
You can request a quote for BAS 00444121 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for BAS 00444121?
Yes, CoreyChem provides custom synthesis services for BAS 00444121 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.