RefChem:1069447
TL;DR: RefChem:1069447 (CAS 79838-97-4) is a chemical compound with molecular formula C26H20FN3O4S and molecular weight 489.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-1-(4-fluorophenyl)-5-[(3-nitrophenyl)methylidene]-2-sulfanylidene-3-(2,4,6-trimethylphenyl)-1,3-diazinane-4,6-dione
Also Known As: 4,6(1H,5H)-Pyrimidinedione, dihydro-1-(4-fluorophenyl)-5-((3-nitrophenyl)methylene)-2-thioxo-3-(2,4,6-trimethylphenyl)-, (5E)-1-(4-fluorophenyl)-5-[(3-nitrophenyl)methylidene]-2-sulfanylidene-3-(2,4,6-trimethylphenyl)-1,3-diazinane-4,6-dione, RefChem:1069447, BRN 4611883
| Molecular Formula | C26H20FN3O4S |
|---|---|
| Molecular Weight | 489.12 g/mol |
| LogP | 5.40746 |
| Topological Polar Surface Area | 83.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 489.11584 |
| Heavy Atoms | 35 |
| Complexity | 1409.7595 |
Chemical Identifiers
| CAS Number | 79838-97-4 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)N2C(=O)/C(=C/C3=CC(=CC=C3)[N+](=O)[O-])/C(=O)N(C2=S)C4=CC=C(C=C4)F)C |
Product Overview
RefChem:1069447 (CAS 79838-97-4), with molecular formula C26H20FN3O4S and molecular weight 489.12 g/mol. IUPAC: (5E)-1-(4-fluorophenyl)-5-[(3-nitrophenyl)methylidene]-2-sulfanylidene-3-(2,4,6-trimethylphenyl)-1,3-diazinane-4,6-dione.
Chemical Property Profile of RefChem:1069447
Property Insights of RefChem:1069447
The XLogP value of 5.40746 indicates that RefChem:1069447 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.76 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1069447. Following Lipinski's Rule of Five, RefChem:1069447 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:1069447?
The CAS number of RefChem:1069447 is 79838-97-4.
What is the molecular formula of RefChem:1069447?
The molecular formula of RefChem:1069447 is C26H20FN3O4S.
What is the molecular weight of RefChem:1069447?
The molecular weight of RefChem:1069447 is 489.12 g/mol.
Where can I buy RefChem:1069447?
You can request a quote for RefChem:1069447 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1069447?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1069447 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.