BAS 00413647
TL;DR: BAS 00413647 (CAS 106718-28-9) is a chemical compound with molecular formula C30H22N4O4S2 and molecular weight 566.1083 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,11-diphenyl-7,14-dithiophen-2-yl-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone
Also Known As: BAS 00413647, 2,7-diphenyl-5,10-di(2-thienyl)tetrahydropyrrolo[3,4-c]pyrrolo[3',4':4,5]pyrazolo[1,2-a]pyrazole-1,3,6,8(2H,3aH,5H,7H)-tetrone, 2,7-diphenyl-5,10-di(thiophen-2-yl)tetrahydropyrrolo[3,4-c]pyrrolo[3',4':4,5]pyrazolo[1,2-a]pyrazole-1,3,6,8(2H,3aH,7H,8aH)-tetraone, 4,11-diphenyl-7,14-di(2-thienyl)-1,4,8,11-tetraazatetracyclo[6.6.0.0<2,6>.0<9, 13>]tetradecane-3,5,10,12-tetraone, 4,11-diphenyl-7,14-dithiophen-2-yl-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone
Technical Specifications
| Molecular Formula | C30H22N4O4S2 |
| Molecular Weight | 566.1083 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 138.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 566.1083 Da |
| Heavy Atoms | 40 |
| Complexity | 1010.0 |
| SMILES | C1=CC=C(C=C1)N2C(=O)C3C(N4C5C(C(N4C3C2=O)C6=CC=CS6)C(=O)N(C5=O)C7=CC=CC=C7)C8=CC=CS8 |
| InChIKey | NTGNSAKLDDFUOA-UHFFFAOYSA-N |
Chemical Property Profile of BAS 00413647
Property Insights of BAS 00413647
The XLogP value of 3.8 indicates that BAS 00413647 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00413647. Following Lipinski's Rule of Five, BAS 00413647 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of BAS 00413647?
The CAS number of BAS 00413647 is 106718-28-9.
What is the molecular formula of BAS 00413647?
The molecular formula of BAS 00413647 is C30H22N4O4S2.
What is the molecular weight of BAS 00413647?
The molecular weight of BAS 00413647 is 566.1083 g/mol.
Where can I buy BAS 00413647?
You can request a quote for BAS 00413647 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for BAS 00413647?
Yes, CoreyChem provides custom synthesis services for BAS 00413647 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.