RefChem:1069435
TL;DR: RefChem:1069435 (CAS 121608-35-3) is a chemical compound with molecular formula C27H20Cl2FN3O3S and molecular weight 555.06 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-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, RefChem:1069435
| Molecular Formula | C27H20Cl2FN3O3S |
|---|---|
| Molecular Weight | 555.06 g/mol |
| LogP | 5.7174 |
| Topological Polar Surface Area | 53.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 555.05865 |
| Heavy Atoms | 37 |
| Complexity | 1407.3987 |
Chemical Identifiers
| CAS Number | 121608-35-3 |
|---|---|
| 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 |
Product Overview
RefChem:1069435 (CAS 121608-35-3), with molecular formula C27H20Cl2FN3O3S and molecular weight 555.06 g/mol. IUPAC: (5Z)-1-(2,5-dichlorophenyl)-5-[(4-fluorophenyl)methylidene]-3-(4-morpholin-4-ylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of RefChem:1069435
Property Insights of RefChem:1069435
The XLogP value of 5.7174 indicates that RefChem:1069435 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.09 Ų, RefChem:1069435 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1069435 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
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 555.06 g/mol.
Where can I buy RefChem:1069435?
You can request a quote for RefChem:1069435 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1069435?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1069435 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.