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5-(3-chloro-2-methylphenyl)-1-(4-nitrophenyl)-3-phenyl-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione structure
Fine Chemical

5-(3-chloro-2-methylphenyl)-1-(4-nitrophenyl)-3-phenyl-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione

TL;DR: 5-(3-chloro-2-methylphenyl)-1-(4-nitrophenyl)-3-phenyl-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione (CAS 1023234-80-1) is a chemical compound with molecular formula C24H17ClN4O4 and molecular weight 460.09384 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

5-(3-chloro-2-methylphenyl)-1-(4-nitrophenyl)-3-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione

Also Known As: 5-(3-chloro-2-methylphenyl)-1-(4-nitrophenyl)-3-phenyl-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione, 5-(3-chloro-2-methylphenyl)-1-(4-nitrophenyl)-3-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione, 5-(3-chloro-2-methylphenyl)-1-(4-nitrophenyl)-3-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione

CAS Number
1023234-80-1
Molecular Formula
C24H17ClN4O4
Molecular Weight
460.09384 g/mol
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Technical Specifications

Molecular FormulaC24H17ClN4O4
Molecular Weight460.09384 g/mol
XLogP5.2
Topological Polar Surface Area (TPSA)98.8 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors6
Rotatable Bonds3
Exact Mass460.09384 Da
Heavy Atoms33
Complexity831.0
SMILESCC1=C(C=CC=C1Cl)N2C(=O)C3C(C2=O)N(N=C3C4=CC=CC=C4)C5=CC=C(C=C5)[N+](=O)[O-]
InChIKeyDTWVLULITKZTEH-UHFFFAOYSA-N

Chemical Property Profile of 5-(3-chloro-2-methylphenyl)-1-(4-nitrophenyl)-3-phenyl-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione

XLogP
5.2
TPSA (Topological Polar Surface Area)
98.8
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
6
Rotatable Bonds
3
Heavy Atoms
33
Complexity
831.0
Exact Mass
460.09384
Monoisotopic Mass
460.09384
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 5-(3-chloro-2-methylphenyl)-1-(4-nitrophenyl)-3-phenyl-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione

The XLogP value of 5.2 indicates that 5-(3-chloro-2-methylphenyl)-1-(4-nitrophenyl)-3-phenyl-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3-chloro-2-methylphenyl)-1-(4-nitrophenyl)-3-phenyl-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione. Following Lipinski's Rule of Five, 5-(3-chloro-2-methylphenyl)-1-(4-nitrophenyl)-3-phenyl-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the CAS number of 5-(3-chloro-2-methylphenyl)-1-(4-nitrophenyl)-3-phenyl-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione?

The CAS number of 5-(3-chloro-2-methylphenyl)-1-(4-nitrophenyl)-3-phenyl-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione is 1023234-80-1.

What is the molecular formula of 5-(3-chloro-2-methylphenyl)-1-(4-nitrophenyl)-3-phenyl-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione?

The molecular formula of 5-(3-chloro-2-methylphenyl)-1-(4-nitrophenyl)-3-phenyl-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione is C24H17ClN4O4.

What is the molecular weight of 5-(3-chloro-2-methylphenyl)-1-(4-nitrophenyl)-3-phenyl-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione?

The molecular weight of 5-(3-chloro-2-methylphenyl)-1-(4-nitrophenyl)-3-phenyl-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione is 460.09384 g/mol.

Where can I buy 5-(3-chloro-2-methylphenyl)-1-(4-nitrophenyl)-3-phenyl-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione?

You can request a quote for 5-(3-chloro-2-methylphenyl)-1-(4-nitrophenyl)-3-phenyl-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 5-(3-chloro-2-methylphenyl)-1-(4-nitrophenyl)-3-phenyl-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione?

Yes, CoreyChem provides custom synthesis services for 5-(3-chloro-2-methylphenyl)-1-(4-nitrophenyl)-3-phenyl-1,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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