RefChem:1069435
TL;DR: RefChem:1069435 (CAS 121608-35-3) is a chemical compound with molecular formula C27H20Cl2FN3O3S and molecular weight 555.05865 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5Z)-1-(2,5-dichlorophenyl)-5-[(4-fluorophenyl)methylidene]-3-(4-morpholin-4-ylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: 1-(2,5-Dichlorophenyl)-5-(p-fluorobenzylidene)-3-(4-(morpholino)phenyl)thiobarbituric acid, 4,6(1H,5H)-Pyrimidinedione, dihydro-1-(2,5-dichlorophenyl)-5-((4-fluorophenyl)methylene)-3-(4-(4-morpholinyl)phenyl)-2-thioxo-, (5Z)-1-(2,5-dichlorophenyl)-5-[(4-fluorophenyl)methylidene]-3-(4-morpholin-4-ylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Technical Specifications
| Molecular Formula | C27H20Cl2FN3O3S |
| Molecular Weight | 555.05865 g/mol |
| XLogP | 6.1 |
| Topological Polar Surface Area (TPSA) | 85.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 555.05865 Da |
| Heavy Atoms | 37 |
| Complexity | 901.0 |
| SMILES | C1COCCN1C2=CC=C(C=C2)N3C(=O)/C(=C/C4=CC=C(C=C4)F)/C(=O)N(C3=S)C5=C(C=CC(=C5)Cl)Cl |
| InChIKey | PEQKZZVDCMDEDQ-JCMHNJIXSA-N |
Chemical Property Profile of RefChem:1069435
Property Insights of RefChem:1069435
The XLogP value of 6.1 indicates that RefChem:1069435 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.2 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1069435. Following Lipinski's Rule of Five, RefChem:1069435 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 RefChem:1069435?
The CAS number of RefChem:1069435 is 121608-35-3.
What is the molecular formula of RefChem:1069435?
The molecular formula of RefChem:1069435 is C27H20Cl2FN3O3S.
What is the molecular weight of RefChem:1069435?
The molecular weight of RefChem:1069435 is 555.05865 g/mol.
Where can I buy RefChem:1069435?
You can request a quote for RefChem:1069435 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1069435?
Yes, CoreyChem provides custom synthesis services for RefChem:1069435 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.