RefChem:1069430
TL;DR: RefChem:1069430 (CAS 121608-28-4) is a chemical compound with molecular formula C28H23Cl2N3O5S and molecular weight 583.07355 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5Z)-1-(2,3-dichlorophenyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-(4-morpholin-4-ylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: 4,6(1H,5H)-Pyrimidinedione, dihydro-1-(2,3-dichlorophenyl)-5-((4-hydroxy-3-methoxyphenyl)methylene)-3-(4-(4-morpholinyl)phenyl)-2-thioxo-, (5Z)-1-(2,3-dichlorophenyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-(4-morpholin-4-ylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Technical Specifications
| Molecular Formula | C28H23Cl2N3O5S |
| Molecular Weight | 583.07355 g/mol |
| XLogP | 5.7 |
| Topological Polar Surface Area (TPSA) | 115.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 583.07355 Da |
| Heavy Atoms | 39 |
| Complexity | 955.0 |
| SMILES | COC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=S)N(C2=O)C3=C(C(=CC=C3)Cl)Cl)C4=CC=C(C=C4)N5CCOCC5)O |
| InChIKey | LDQBRRHWQUTWDR-HKWRFOASSA-N |
Chemical Property Profile of RefChem:1069430
Property Insights of RefChem:1069430
The XLogP value of 5.7 indicates that RefChem:1069430 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1069430. Following Lipinski's Rule of Five, RefChem:1069430 has 1 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:1069430?
The CAS number of RefChem:1069430 is 121608-28-4.
What is the molecular formula of RefChem:1069430?
The molecular formula of RefChem:1069430 is C28H23Cl2N3O5S.
What is the molecular weight of RefChem:1069430?
The molecular weight of RefChem:1069430 is 583.07355 g/mol.
Where can I buy RefChem:1069430?
You can request a quote for RefChem:1069430 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1069430?
Yes, CoreyChem provides custom synthesis services for RefChem:1069430 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.