RefChem:1069439
TL;DR: RefChem:1069439 (CAS 121608-37-5) is a chemical compound with molecular formula C29H23Cl2N3O3S and molecular weight 563.08374 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-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: 1-(2,6-Dichlorophenyl)-3-(4-morpholinophenyl)-5-(3-phenyl-2-propenylidene)thiobarbituric acid, 4,6(1H,5H)-Pyrimidinedione, dihydro-1-(2,6-dichlorophenyl)-3-(4-(4-morpholinyl)phenyl)-5-(3-phenyl)-2-propenylidene)-2-thioxo-, (5Z)-1-(2,6-dichlorophenyl)-3-(4-morpholin-4-ylphenyl)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Technical Specifications
| Molecular Formula | C29H23Cl2N3O3S |
| Molecular Weight | 563.08374 g/mol |
| XLogP | 6.7 |
| Topological Polar Surface Area (TPSA) | 85.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 563.08374 Da |
| Heavy Atoms | 38 |
| Complexity | 929.0 |
| SMILES | C1COCCN1C2=CC=C(C=C2)N3C(=O)/C(=C/C=C/C4=CC=CC=C4)/C(=O)N(C3=S)C5=C(C=CC=C5Cl)Cl |
| InChIKey | CLTZBJOUQASQEF-NFSKYBQSSA-N |
Chemical Property Profile of RefChem:1069439
Property Insights of RefChem:1069439
The XLogP value of 6.7 indicates that RefChem:1069439 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:1069439. Following Lipinski's Rule of Five, RefChem:1069439 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:1069439?
The CAS number of RefChem:1069439 is 121608-37-5.
What is the molecular formula of RefChem:1069439?
The molecular formula of RefChem:1069439 is C29H23Cl2N3O3S.
What is the molecular weight of RefChem:1069439?
The molecular weight of RefChem:1069439 is 563.08374 g/mol.
Where can I buy RefChem:1069439?
You can request a quote for RefChem:1069439 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1069439?
Yes, CoreyChem provides custom synthesis services for RefChem:1069439 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.