RefChem:1069437
TL;DR: RefChem:1069437 (CAS 121608-31-9) is a chemical compound with molecular formula C28H23Cl2N3O4S and molecular weight 567.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-1-(2,5-dichlorophenyl)-5-[(4-methoxyphenyl)methylidene]-3-(4-morpholin-4-ylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: 1-(2,5-Dichlorophenyl)-5-(p-methoxybenzylidene)-3-(4-(morpholino)phenyl)thiobarbituric acid, 4,6(1H,5H)-Pyrimidinedione, dihydro-1-(2,5-dichlorophenyl)-5-((4-methoxyphenyl)methylene)-3-(4-(4-morpholinyl)phenyl)-2-thioxo-, (5Z)-1-(2,5-dichlorophenyl)-5-[(4-methoxyphenyl)methylidene]-3-(4-morpholin-4-ylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione, RefChem:1069437
| Molecular Formula | C28H23Cl2N3O4S |
|---|---|
| Molecular Weight | 567.08 g/mol |
| LogP | 5.5869 |
| Topological Polar Surface Area | 62.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 567.0786 |
| Heavy Atoms | 38 |
| Complexity | 1421.0162 |
Chemical Identifiers
| CAS Number | 121608-31-9 |
|---|---|
| SMILES | COC1=CC=C(C=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 |
Product Overview
RefChem:1069437 (CAS 121608-31-9), with molecular formula C28H23Cl2N3O4S and molecular weight 567.08 g/mol. IUPAC: (5Z)-1-(2,5-dichlorophenyl)-5-[(4-methoxyphenyl)methylidene]-3-(4-morpholin-4-ylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of RefChem:1069437
Property Insights of RefChem:1069437
The XLogP value of 5.5869 indicates that RefChem:1069437 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.32 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1069437. Following Lipinski's Rule of Five, RefChem:1069437 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1069437?
The CAS number of RefChem:1069437 is 121608-31-9.
What is the molecular formula of RefChem:1069437?
The molecular formula of RefChem:1069437 is C28H23Cl2N3O4S.
What is the molecular weight of RefChem:1069437?
The molecular weight of RefChem:1069437 is 567.08 g/mol.
Where can I buy RefChem:1069437?
You can request a quote for RefChem:1069437 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1069437?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1069437 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.