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4,6(1H,5H)-Pyrimidinedione,1-(2,5-dichlorophenyl)dihydro-3-[4-(4-morpholinyl)phenyl]-5-[(3-nitrophenyl)methylene]-2-thioxo- structure
Fine Chemical

4,6(1H,5H)-Pyrimidinedione,1-(2,5-dichlorophenyl)dihydro-3-[4-(4-morpholinyl)phenyl]-5-[(3-nitrophenyl)methylene]-2-thioxo-

TL;DR: 4,6(1H,5H)-Pyrimidinedione,1-(2,5-dichlorophenyl)dihydro-3-[4-(4-morpholinyl)phenyl]-5-[(3-nitrophenyl)methylene]-2-thioxo- (CAS 121608-34-2) is a chemical compound with molecular formula C27H20Cl2N4O5S and molecular weight 582.05316 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

1-(2,5-dichlorophenyl)-3-(4-morpholin-4-ylphenyl)-5-[(3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Also Known As: 4,6(1H,5H)-Pyrimidinedione,1-(2,5-dichlorophenyl)dihydro-3-[4-(4-morpholinyl)phenyl]-5-[(3-nitrophenyl)methylene]-2-thioxo-, 1-(2,5-Dichlorophenyl)-3-(4-(morpholino)phenyl)-5-(m-nitrobenzylidene)thiobarbituric acid, 4,6(1H,5H)-Pyrimidinedione, dihydro-1-(2,5-dichlorophenyl)-3-(4-(4-morpholinyl)phenyl)-5-((3-nitrophenyl)methylene)-2-thioxo-

CAS Number
121608-34-2
Molecular Formula
C27H20Cl2N4O5S
Molecular Weight
582.05316 g/mol
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Technical Specifications

Molecular FormulaC27H20Cl2N4O5S
Molecular Weight582.05316 g/mol
XLogP5.9
Topological Polar Surface Area (TPSA)131.0 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors7
Rotatable Bonds4
Exact Mass582.05316 Da
Heavy Atoms39
Complexity995.0
SMILESC1COCCN1C2=CC=C(C=C2)N3C(=O)C(=CC4=CC(=CC=C4)[N+](=O)[O-])C(=O)N(C3=S)C5=C(C=CC(=C5)Cl)Cl
InChIKeyTWNDMJRBEQOBAA-UHFFFAOYSA-N

Chemical Property Profile of 4,6(1H,5H)-Pyrimidinedione,1-(2,5-dichlorophenyl)dihydro-3-[4-(4-morpholinyl)phenyl]-5-[(3-nitrophenyl)methylene]-2-thioxo-

XLogP
5.9
TPSA (Topological Polar Surface Area)
131.0
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
7
Rotatable Bonds
4
Heavy Atoms
39
Complexity
995.0
Exact Mass
582.05316
Monoisotopic Mass
582.05316
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 4,6(1H,5H)-Pyrimidinedione,1-(2,5-dichlorophenyl)dihydro-3-[4-(4-morpholinyl)phenyl]-5-[(3-nitrophenyl)methylene]-2-thioxo-

The XLogP value of 5.9 indicates that 4,6(1H,5H)-Pyrimidinedione,1-(2,5-dichlorophenyl)dihydro-3-[4-(4-morpholinyl)phenyl]-5-[(3-nitrophenyl)methylene]-2-thioxo- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,6(1H,5H)-Pyrimidinedione,1-(2,5-dichlorophenyl)dihydro-3-[4-(4-morpholinyl)phenyl]-5-[(3-nitrophenyl)methylene]-2-thioxo-. Following Lipinski's Rule of Five, 4,6(1H,5H)-Pyrimidinedione,1-(2,5-dichlorophenyl)dihydro-3-[4-(4-morpholinyl)phenyl]-5-[(3-nitrophenyl)methylene]-2-thioxo- has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the CAS number of 4,6(1H,5H)-Pyrimidinedione,1-(2,5-dichlorophenyl)dihydro-3-[4-(4-morpholinyl)phenyl]-5-[(3-nitrophenyl)methylene]-2-thioxo-?

The CAS number of 4,6(1H,5H)-Pyrimidinedione,1-(2,5-dichlorophenyl)dihydro-3-[4-(4-morpholinyl)phenyl]-5-[(3-nitrophenyl)methylene]-2-thioxo- is 121608-34-2.

What is the molecular formula of 4,6(1H,5H)-Pyrimidinedione,1-(2,5-dichlorophenyl)dihydro-3-[4-(4-morpholinyl)phenyl]-5-[(3-nitrophenyl)methylene]-2-thioxo-?

The molecular formula of 4,6(1H,5H)-Pyrimidinedione,1-(2,5-dichlorophenyl)dihydro-3-[4-(4-morpholinyl)phenyl]-5-[(3-nitrophenyl)methylene]-2-thioxo- is C27H20Cl2N4O5S.

What is the molecular weight of 4,6(1H,5H)-Pyrimidinedione,1-(2,5-dichlorophenyl)dihydro-3-[4-(4-morpholinyl)phenyl]-5-[(3-nitrophenyl)methylene]-2-thioxo-?

The molecular weight of 4,6(1H,5H)-Pyrimidinedione,1-(2,5-dichlorophenyl)dihydro-3-[4-(4-morpholinyl)phenyl]-5-[(3-nitrophenyl)methylene]-2-thioxo- is 582.05316 g/mol.

Where can I buy 4,6(1H,5H)-Pyrimidinedione,1-(2,5-dichlorophenyl)dihydro-3-[4-(4-morpholinyl)phenyl]-5-[(3-nitrophenyl)methylene]-2-thioxo-?

You can request a quote for 4,6(1H,5H)-Pyrimidinedione,1-(2,5-dichlorophenyl)dihydro-3-[4-(4-morpholinyl)phenyl]-5-[(3-nitrophenyl)methylene]-2-thioxo- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 4,6(1H,5H)-Pyrimidinedione,1-(2,5-dichlorophenyl)dihydro-3-[4-(4-morpholinyl)phenyl]-5-[(3-nitrophenyl)methylene]-2-thioxo-?

Yes, CoreyChem provides custom synthesis services for 4,6(1H,5H)-Pyrimidinedione,1-(2,5-dichlorophenyl)dihydro-3-[4-(4-morpholinyl)phenyl]-5-[(3-nitrophenyl)methylene]-2-thioxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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