RefChem:1069438
TL;DR: RefChem:1069438 (CAS 121608-39-7) 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.
(5Z)-1-(2,6-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, dihydro-1-(2,6-dichlorophenyl)-3-(4-(4-morpholinyl)phenyl)-5-((3-nitrophenyl)methylene)-2-thioxo-, 1-(2,6-Dichlorophenyl)-3-(4-(morpholino)phenyl)-5-(m-nitrobenzylidene)thiobarbituric acid, (5Z)-1-(2,6-dichlorophenyl)-3-(4-morpholin-4-ylphenyl)-5-[(3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Technical Specifications
| Molecular Formula | C27H20Cl2N4O5S |
| Molecular Weight | 582.05316 g/mol |
| XLogP | 5.9 |
| Topological Polar Surface Area (TPSA) | 131.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 582.05316 Da |
| Heavy Atoms | 39 |
| Complexity | 985.0 |
| SMILES | C1COCCN1C2=CC=C(C=C2)N3C(=O)/C(=C/C4=CC(=CC=C4)[N+](=O)[O-])/C(=O)N(C3=S)C5=C(C=CC=C5Cl)Cl |
| InChIKey | INKDVSLUQZQXBL-PGMHBOJBSA-N |
Chemical Property Profile of RefChem:1069438
Property Insights of RefChem:1069438
The XLogP value of 5.9 indicates that RefChem:1069438 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 RefChem:1069438. Following Lipinski's Rule of Five, RefChem:1069438 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 RefChem:1069438?
The CAS number of RefChem:1069438 is 121608-39-7.
What is the molecular formula of RefChem:1069438?
The molecular formula of RefChem:1069438 is C27H20Cl2N4O5S.
What is the molecular weight of RefChem:1069438?
The molecular weight of RefChem:1069438 is 582.05316 g/mol.
Where can I buy RefChem:1069438?
You can request a quote for RefChem:1069438 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1069438?
Yes, CoreyChem provides custom synthesis services for RefChem:1069438 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.