C25H19ClFN5OS
TL;DR: C25H19ClFN5OS (CAS 850244-71-2) is a chemical compound with molecular formula C25H19ClFN5OS and molecular weight 491.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6E)-6-[[1-(3-chloro-4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-(2-methylphenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (E)-6-((1-(3-chloro-4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-5-imino-2-(o-tolyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one, (6E)-6-[[1-(3-chloro-4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-(2-methylphenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
| Molecular Formula | C25H19ClFN5OS |
|---|---|
| Molecular Weight | 491.10 g/mol |
| LogP | 5.86253 |
| Topological Polar Surface Area | 73.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 491.0983 |
| Heavy Atoms | 34 |
| Complexity | 1486.4067 |
Chemical Identifiers
| CAS Number | 850244-71-2 |
|---|---|
| SMILES | CC1=CC=CC=C1C2=NN3C(=N)/C(=C\C4=C(N(C(=C4)C)C5=CC(=C(C=C5)F)Cl)C)/C(=O)N=C3S2 |
Product Overview
C25H19ClFN5OS (CAS 850244-71-2), with molecular formula C25H19ClFN5OS and molecular weight 491.10 g/mol. IUPAC: (6E)-6-[[1-(3-chloro-4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-(2-methylphenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of C25H19ClFN5OS
Property Insights of C25H19ClFN5OS
The XLogP value of 5.86253 indicates that C25H19ClFN5OS 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 C25H19ClFN5OS. Following Lipinski's Rule of Five, C25H19ClFN5OS 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 C25H19ClFN5OS?
The CAS number of C25H19ClFN5OS is 850244-71-2.
What is the molecular formula of C25H19ClFN5OS?
The molecular formula of C25H19ClFN5OS is C25H19ClFN5OS.
What is the molecular weight of C25H19ClFN5OS?
The molecular weight of C25H19ClFN5OS is 491.10 g/mol.
Where can I buy C25H19ClFN5OS?
You can request a quote for C25H19ClFN5OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C25H19ClFN5OS?
Yes, KEHONG BIO provides custom synthesis services for C25H19ClFN5OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.