C28H20FN5OS
TL;DR: C28H20FN5OS (CAS 847182-76-7) is a chemical compound with molecular formula C28H20FN5OS and molecular weight 493.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6E)-6-[(2,5-dimethyl-1-naphthalen-2-ylpyrrol-3-yl)methylidene]-2-(2-fluorophenyl)-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (E)-6-((2,5-dimethyl-1-(naphthalen-2-yl)-1H-pyrrol-3-yl)methylene)-2-(2-fluorophenyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one, (6E)-6-[(2,5-dimethyl-1-naphthalen-2-ylpyrrol-3-yl)methylidene]-2-(2-fluorophenyl)-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (6E)-6-{[2,5-dimethyl-1-(naphthalen-2-yl)-1H-pyrrol-3-yl]methylidene}-2-(2-fluorophenyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
| Molecular Formula | C28H20FN5OS |
|---|---|
| Molecular Weight | 493.14 g/mol |
| LogP | 6.05391 |
| Topological Polar Surface Area | 73.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 493.13727 |
| Heavy Atoms | 36 |
| Complexity | 1697.3407 |
Chemical Identifiers
| CAS Number | 847182-76-7 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC3=CC=CC=C3C=C2)C)/C=C/4\C(=N)N5C(=NC4=O)SC(=N5)C6=CC=CC=C6F |
Product Overview
C28H20FN5OS (CAS 847182-76-7), with molecular formula C28H20FN5OS and molecular weight 493.14 g/mol. IUPAC: (6E)-6-[(2,5-dimethyl-1-naphthalen-2-ylpyrrol-3-yl)methylidene]-2-(2-fluorophenyl)-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of C28H20FN5OS
Property Insights of C28H20FN5OS
The XLogP value of 6.05391 indicates that C28H20FN5OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.81 Ų falls within the moderate polarity range, balancing permeability and solubility for C28H20FN5OS. Following Lipinski's Rule of Five, C28H20FN5OS has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C28H20FN5OS?
The CAS number of C28H20FN5OS is 847182-76-7.
What is the molecular formula of C28H20FN5OS?
The molecular formula of C28H20FN5OS is C28H20FN5OS.
What is the molecular weight of C28H20FN5OS?
The molecular weight of C28H20FN5OS is 493.14 g/mol.
Where can I buy C28H20FN5OS?
You can request a quote for C28H20FN5OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C28H20FN5OS?
Yes, KEHONG BIO provides custom synthesis services for C28H20FN5OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.