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2-(3,4-dichlorophenyl)-9-(4-fluorophenyl)tetrahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H,3aH)-dione structure
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2-(3,4-dichlorophenyl)-9-(4-fluorophenyl)tetrahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H,3aH)-dione

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

CAS Number
1005036-08-7
Molecular Formula
C20H16Cl2FN3O2
Molecular Weight
419.06036 g/mol
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Technical Specifications

Molecular FormulaC20H16Cl2FN3O2
Molecular Weight419.06036 g/mol
XLogP3.9
Topological Polar Surface Area (TPSA)43.9 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors5
Rotatable Bonds2
Exact Mass419.06036 Da
Heavy Atoms28
Complexity659.0
SMILESC1CN2C(C3C(N2C1)C(=O)N(C3=O)C4=CC(=C(C=C4)Cl)Cl)C5=CC=C(C=C5)F
InChIKeyTXHRYVAYLONMQQ-UHFFFAOYSA-N

Chemical Property Profile of 2-(3,4-dichlorophenyl)-9-(4-fluorophenyl)tetrahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H,3aH)-dione

XLogP
3.9
TPSA (Topological Polar Surface Area)
43.9
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
5
Rotatable Bonds
2
Heavy Atoms
28
Complexity
659.0
Exact Mass
419.06036
Monoisotopic Mass
419.06036
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of 2-(3,4-dichlorophenyl)-9-(4-fluorophenyl)tetrahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H,3aH)-dione

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.

Frequently Asked Questions

What is 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?

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.

What is 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?

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.

What is 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?

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.

Where can I buy 2-(3,4-dichlorophenyl)-9-(4-fluorophenyl)tetrahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H,3aH)-dione?

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.

Does CoreyChem offer custom synthesis for 2-(3,4-dichlorophenyl)-9-(4-fluorophenyl)tetrahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H,3aH)-dione?

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.

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