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8-(4-Chlorobenzoyl)-11a,11b-dihydro-10-(2-methyl-4-nitrophenyl)-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione structure
Fine Chemical

8-(4-Chlorobenzoyl)-11a,11b-dihydro-10-(2-methyl-4-nitrophenyl)-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione

TL;DR: 8-(4-Chlorobenzoyl)-11a,11b-dihydro-10-(2-methyl-4-nitrophenyl)-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione (CAS 1212381-18-4) is a chemical compound with molecular formula C28H20ClN3O5 and molecular weight 513.10913 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

11-(4-chlorobenzoyl)-14-(2-methyl-4-nitrophenyl)-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione

Also Known As: 8-(4-Chlorobenzoyl)-11a,11b-dihydro-10-(2-methyl-4-nitrophenyl)-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione, 8-(4-Chlorobenzoyl)-11a,11b-dihydro-10-(2-methyl-4-nitrophenyl)-8H-pyrrolo[3a(2),4a(2):3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione

CAS Number
1212381-18-4
Molecular Formula
C28H20ClN3O5
Molecular Weight
513.10913 g/mol
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Technical Specifications

Molecular FormulaC28H20ClN3O5
Molecular Weight513.10913 g/mol
XLogP4.7
Topological Polar Surface Area (TPSA)104.0 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors6
Rotatable Bonds3
Exact Mass513.10913 Da
Heavy Atoms37
Complexity1000.0
SMILESCC1=C(C=CC(=C1)[N+](=O)[O-])N2C(=O)C3C(C2=O)C(N4C3C5=CC=CC=C5C=C4)C(=O)C6=CC=C(C=C6)Cl
InChIKeyKJJSEYOOWMMQIN-UHFFFAOYSA-N

Chemical Property Profile of 8-(4-Chlorobenzoyl)-11a,11b-dihydro-10-(2-methyl-4-nitrophenyl)-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione

XLogP
4.7
TPSA (Topological Polar Surface Area)
104.0
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
6
Rotatable Bonds
3
Heavy Atoms
37
Complexity
1000.0
Exact Mass
513.10913
Monoisotopic Mass
513.10913
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 8-(4-Chlorobenzoyl)-11a,11b-dihydro-10-(2-methyl-4-nitrophenyl)-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione

The XLogP value of 4.7 indicates that 8-(4-Chlorobenzoyl)-11a,11b-dihydro-10-(2-methyl-4-nitrophenyl)-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(4-Chlorobenzoyl)-11a,11b-dihydro-10-(2-methyl-4-nitrophenyl)-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione. Following Lipinski's Rule of Five, 8-(4-Chlorobenzoyl)-11a,11b-dihydro-10-(2-methyl-4-nitrophenyl)-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-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 8-(4-Chlorobenzoyl)-11a,11b-dihydro-10-(2-methyl-4-nitrophenyl)-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione?

The CAS number of 8-(4-Chlorobenzoyl)-11a,11b-dihydro-10-(2-methyl-4-nitrophenyl)-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione is 1212381-18-4.

What is the molecular formula of 8-(4-Chlorobenzoyl)-11a,11b-dihydro-10-(2-methyl-4-nitrophenyl)-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione?

The molecular formula of 8-(4-Chlorobenzoyl)-11a,11b-dihydro-10-(2-methyl-4-nitrophenyl)-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione is C28H20ClN3O5.

What is the molecular weight of 8-(4-Chlorobenzoyl)-11a,11b-dihydro-10-(2-methyl-4-nitrophenyl)-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione?

The molecular weight of 8-(4-Chlorobenzoyl)-11a,11b-dihydro-10-(2-methyl-4-nitrophenyl)-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione is 513.10913 g/mol.

Where can I buy 8-(4-Chlorobenzoyl)-11a,11b-dihydro-10-(2-methyl-4-nitrophenyl)-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione?

You can request a quote for 8-(4-Chlorobenzoyl)-11a,11b-dihydro-10-(2-methyl-4-nitrophenyl)-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 8-(4-Chlorobenzoyl)-11a,11b-dihydro-10-(2-methyl-4-nitrophenyl)-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione?

Yes, CoreyChem provides custom synthesis services for 8-(4-Chlorobenzoyl)-11a,11b-dihydro-10-(2-methyl-4-nitrophenyl)-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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