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

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

TL;DR: 11a,11b-Dihydro-8-(4-methoxybenzoyl)-10-(3-nitrophenyl)-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione (CAS 1212311-51-7) is a chemical compound with molecular formula C28H21N3O6 and molecular weight 495.14304 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

11-(4-methoxybenzoyl)-14-(3-nitrophenyl)-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione

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

CAS Number
1212311-51-7
Molecular Formula
C28H21N3O6
Molecular Weight
495.14304 g/mol
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Technical Specifications

Molecular FormulaC28H21N3O6
Molecular Weight495.14304 g/mol
XLogP3.7
Topological Polar Surface Area (TPSA)113.0 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors7
Rotatable Bonds4
Exact Mass495.14304 Da
Heavy Atoms37
Complexity985.0
SMILESCOC1=CC=C(C=C1)C(=O)C2C3C(C4N2C=CC5=CC=CC=C45)C(=O)N(C3=O)C6=CC(=CC=C6)[N+](=O)[O-]
InChIKeyARROASCPBJVBSE-UHFFFAOYSA-N

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

XLogP
3.7
TPSA (Topological Polar Surface Area)
113.0
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
7
Rotatable Bonds
4
Heavy Atoms
37
Complexity
985.0
Exact Mass
495.14304
Monoisotopic Mass
495.14304
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 11a,11b-Dihydro-8-(4-methoxybenzoyl)-10-(3-nitrophenyl)-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione

The XLogP value of 3.7 indicates that 11a,11b-Dihydro-8-(4-methoxybenzoyl)-10-(3-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 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 11a,11b-Dihydro-8-(4-methoxybenzoyl)-10-(3-nitrophenyl)-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione. Following Lipinski's Rule of Five, 11a,11b-Dihydro-8-(4-methoxybenzoyl)-10-(3-nitrophenyl)-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of 11a,11b-Dihydro-8-(4-methoxybenzoyl)-10-(3-nitrophenyl)-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione?

The CAS number of 11a,11b-Dihydro-8-(4-methoxybenzoyl)-10-(3-nitrophenyl)-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione is 1212311-51-7.

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

The molecular formula of 11a,11b-Dihydro-8-(4-methoxybenzoyl)-10-(3-nitrophenyl)-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione is C28H21N3O6.

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

The molecular weight of 11a,11b-Dihydro-8-(4-methoxybenzoyl)-10-(3-nitrophenyl)-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione is 495.14304 g/mol.

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

You can request a quote for 11a,11b-Dihydro-8-(4-methoxybenzoyl)-10-(3-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 11a,11b-Dihydro-8-(4-methoxybenzoyl)-10-(3-nitrophenyl)-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione?

Yes, CoreyChem provides custom synthesis services for 11a,11b-Dihydro-8-(4-methoxybenzoyl)-10-(3-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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