TL;DR: 2-(3,4-dichlorophenyl)-9-(4-fluorophenyl)tetrahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H,3aH)-dione (CAS 1005036-08-7) is a chemical compound with molecular formula C20H16Cl2FN3O2 and molecular weight 419.06036 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(3,4-dichlorophenyl)-7-(4-fluorophenyl)-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione
Also Known As: 2-(3,4-dichlorophenyl)-9-(4-fluorophenyl)tetrahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H,3aH)-dione, 2-(3,4-dichlorophenyl)-9-(4-fluorophenyl)hexahydro-1H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H)-dione
| Molecular Formula | C20H16Cl2FN3O2 |
| Molecular Weight | 419.06036 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 43.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 419.06036 Da |
| Heavy Atoms | 28 |
| Complexity | 659.0 |
| SMILES | C1CN2C(C3C(N2C1)C(=O)N(C3=O)C4=CC(=C(C=C4)Cl)Cl)C5=CC=C(C=C5)F |
| InChIKey | TXHRYVAYLONMQQ-UHFFFAOYSA-N |
The XLogP value of 3.9 indicates that 2-(3,4-dichlorophenyl)-9-(4-fluorophenyl)tetrahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H,3aH)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.9 Ų, 2-(3,4-dichlorophenyl)-9-(4-fluorophenyl)tetrahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H,3aH)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3,4-dichlorophenyl)-9-(4-fluorophenyl)tetrahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H,3aH)-dione has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-(3,4-dichlorophenyl)-9-(4-fluorophenyl)tetrahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H,3aH)-dione is 1005036-08-7.
The molecular formula of 2-(3,4-dichlorophenyl)-9-(4-fluorophenyl)tetrahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H,3aH)-dione is C20H16Cl2FN3O2.
The molecular weight of 2-(3,4-dichlorophenyl)-9-(4-fluorophenyl)tetrahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H,3aH)-dione is 419.06036 g/mol.
You can request a quote for 2-(3,4-dichlorophenyl)-9-(4-fluorophenyl)tetrahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H,3aH)-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Yes, CoreyChem provides custom synthesis services for 2-(3,4-dichlorophenyl)-9-(4-fluorophenyl)tetrahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H,3aH)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.
Request a quote for CAS 1005036-08-7. Our professional technical team will respond with pricing and lead time.