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2-(4-chloro-3-nitrophenyl)-9-(4-methylphenyl)tetrahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H,3aH)-dione structure
Fine Chemical

2-(4-chloro-3-nitrophenyl)-9-(4-methylphenyl)tetrahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H,3aH)-dione

TL;DR: 2-(4-chloro-3-nitrophenyl)-9-(4-methylphenyl)tetrahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H,3aH)-dione (CAS 1022582-67-7) is a chemical compound with molecular formula C21H19ClN4O4 and molecular weight 426.1095 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

4-(4-chloro-3-nitrophenyl)-7-(4-methylphenyl)-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione

Also Known As: 2-(4-chloro-3-nitrophenyl)-9-(4-methylphenyl)tetrahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H,3aH)-dione, 2-(4-chloro-3-nitrophenyl)-9-(p-tolyl)hexahydro-1H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H)-dione

CAS Number
1022582-67-7
Molecular Formula
C21H19ClN4O4
Molecular Weight
426.1095 g/mol
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Technical Specifications

Molecular FormulaC21H19ClN4O4
Molecular Weight426.1095 g/mol
XLogP3.4
Topological Polar Surface Area (TPSA)89.7 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors6
Rotatable Bonds2
Exact Mass426.1095 Da
Heavy Atoms30
Complexity737.0
SMILESCC1=CC=C(C=C1)C2C3C(C(=O)N(C3=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])N5N2CCC5
InChIKeyQKJYOWDIFZIZCD-UHFFFAOYSA-N

Product Description

Applications: AC1MO9P9 is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies AC1MO9P9 (CAS 1022582-67-7) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.

A fine chemical supplied by CoreyChem, AC1MO9P9 (CAS 1022582-67-7) has the molecular formula C21H19ClN4O4 and a molecular weight of 426.11 g/mol. It is also known as 2-(4-chloro-3-nitrophenyl)-9-(4-methylphenyl)tetrahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H,3aH)-dione and 2-(4-chloro-3-nitrophenyl)-9-(p-tolyl)hexahydro-1H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H)-dione.

CoreyChem provides it with COA documentation, and custom synthesis from milligram to multi-kilogram scales is available on request. Request a quotation with your required quantity and purity for current lead time and pricing.

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

XLogP
3.4
TPSA (Topological Polar Surface Area)
89.7
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
6
Rotatable Bonds
2
Heavy Atoms
30
Complexity
737.0
Exact Mass
426.1095
Monoisotopic Mass
426.1095
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-(4-chloro-3-nitrophenyl)-9-(4-methylphenyl)tetrahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H,3aH)-dione

The XLogP value of 3.4 indicates that 2-(4-chloro-3-nitrophenyl)-9-(4-methylphenyl)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. The TPSA of 89.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-chloro-3-nitrophenyl)-9-(4-methylphenyl)tetrahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H,3aH)-dione. Following Lipinski's Rule of Five, 2-(4-chloro-3-nitrophenyl)-9-(4-methylphenyl)tetrahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H,3aH)-dione has 0 hydrogen bond donor(s) and 6 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-(4-chloro-3-nitrophenyl)-9-(4-methylphenyl)tetrahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H,3aH)-dione?

The CAS number of 2-(4-chloro-3-nitrophenyl)-9-(4-methylphenyl)tetrahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H,3aH)-dione is 1022582-67-7.

What is the molecular formula of 2-(4-chloro-3-nitrophenyl)-9-(4-methylphenyl)tetrahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H,3aH)-dione?

The molecular formula of 2-(4-chloro-3-nitrophenyl)-9-(4-methylphenyl)tetrahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H,3aH)-dione is C21H19ClN4O4.

What is the molecular weight of 2-(4-chloro-3-nitrophenyl)-9-(4-methylphenyl)tetrahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H,3aH)-dione?

The molecular weight of 2-(4-chloro-3-nitrophenyl)-9-(4-methylphenyl)tetrahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H,3aH)-dione is 426.1095 g/mol.

What are the applications of 2-(4-chloro-3-nitrophenyl)-9-(4-methylphenyl)tetrahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H,3aH)-dione?

AC1MO9P9 is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies AC1MO9P9 (CAS 1022582-67-7) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS...

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

You can request a quote for 2-(4-chloro-3-nitrophenyl)-9-(4-methylphenyl)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-(4-chloro-3-nitrophenyl)-9-(4-methylphenyl)tetrahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H,3aH)-dione?

Yes, CoreyChem provides custom synthesis services for 2-(4-chloro-3-nitrophenyl)-9-(4-methylphenyl)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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