![6-[[4-[2-(3,4-Dimethylphenoxy)ethoxy]phenyl]methylene]-5,6-dihydro-5-imino-2-(trifluoromethyl)-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one structure](/static/products/3753/375355-33-2.webp)
6-[[4-[2-(3,4-Dimethylphenoxy)ethoxy]phenyl]methylene]-5,6-dihydro-5-imino-2-(trifluoromethyl)-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one
TL;DR: 6-[[4-[2-(3,4-Dimethylphenoxy)ethoxy]phenyl]methylene]-5,6-dihydro-5-imino-2-(trifluoromethyl)-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one (CAS 375355-33-2) is a chemical compound with molecular formula C23H19F3N4O3S and molecular weight 488.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[[4-[2-(3,4-dimethylphenoxy)ethoxy]phenyl]methylidene]-5-imino-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: 6-[[4-[2-(3,4-Dimethylphenoxy)ethoxy]phenyl]methylene]-5,6-dihydro-5-imino-2-(trifluoromethyl)-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[4-[2-(3,4-dimethylphenoxy)ethoxy]phenyl]methylidene]-5-imino-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
| Molecular Formula | C23H19F3N4O3S |
|---|---|
| Molecular Weight | 488.11 g/mol |
| LogP | 4.94271 |
| Topological Polar Surface Area | 87.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 488.113 |
| Heavy Atoms | 34 |
| Complexity | 1237.0117 |
Chemical Identifiers
| CAS Number | 375355-33-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)OCCOC2=CC=C(C=C2)C=C3C(=N)N4C(=NC3=O)SC(=N4)C(F)(F)F)C |
Product Overview
6-[[4-[2-(3,4-Dimethylphenoxy)ethoxy]phenyl]methylene]-5,6-dihydro-5-imino-2-(trifluoromethyl)-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one (CAS 375355-33-2), with molecular formula C23H19F3N4O3S and molecular weight 488.11 g/mol. IUPAC: 6-[[4-[2-(3,4-dimethylphenoxy)ethoxy]phenyl]methylidene]-5-imino-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of 6-[[4-[2-(3,4-Dimethylphenoxy)ethoxy]phenyl]methylene]-5,6-dihydro-5-imino-2-(trifluoromethyl)-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one
Property Insights of 6-[[4-[2-(3,4-Dimethylphenoxy)ethoxy]phenyl]methylene]-5,6-dihydro-5-imino-2-(trifluoromethyl)-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one
The XLogP value of 4.94271 indicates that 6-[[4-[2-(3,4-Dimethylphenoxy)ethoxy]phenyl]methylene]-5,6-dihydro-5-imino-2-(trifluoromethyl)-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.34 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-[[4-[2-(3,4-Dimethylphenoxy)ethoxy]phenyl]methylene]-5,6-dihydro-5-imino-2-(trifluoromethyl)-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one. Following Lipinski's Rule of Five, 6-[[4-[2-(3,4-Dimethylphenoxy)ethoxy]phenyl]methylene]-5,6-dihydro-5-imino-2-(trifluoromethyl)-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-[[4-[2-(3,4-Dimethylphenoxy)ethoxy]phenyl]methylene]-5,6-dihydro-5-imino-2-(trifluoromethyl)-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one?
The CAS number of 6-[[4-[2-(3,4-Dimethylphenoxy)ethoxy]phenyl]methylene]-5,6-dihydro-5-imino-2-(trifluoromethyl)-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one is 375355-33-2.
What is the molecular formula of 6-[[4-[2-(3,4-Dimethylphenoxy)ethoxy]phenyl]methylene]-5,6-dihydro-5-imino-2-(trifluoromethyl)-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one?
The molecular formula of 6-[[4-[2-(3,4-Dimethylphenoxy)ethoxy]phenyl]methylene]-5,6-dihydro-5-imino-2-(trifluoromethyl)-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one is C23H19F3N4O3S.
What is the molecular weight of 6-[[4-[2-(3,4-Dimethylphenoxy)ethoxy]phenyl]methylene]-5,6-dihydro-5-imino-2-(trifluoromethyl)-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one?
The molecular weight of 6-[[4-[2-(3,4-Dimethylphenoxy)ethoxy]phenyl]methylene]-5,6-dihydro-5-imino-2-(trifluoromethyl)-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one is 488.11 g/mol.
Where can I buy 6-[[4-[2-(3,4-Dimethylphenoxy)ethoxy]phenyl]methylene]-5,6-dihydro-5-imino-2-(trifluoromethyl)-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one?
You can request a quote for 6-[[4-[2-(3,4-Dimethylphenoxy)ethoxy]phenyl]methylene]-5,6-dihydro-5-imino-2-(trifluoromethyl)-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-[[4-[2-(3,4-Dimethylphenoxy)ethoxy]phenyl]methylene]-5,6-dihydro-5-imino-2-(trifluoromethyl)-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one?
Yes, KEHONG BIO provides custom synthesis services for 6-[[4-[2-(3,4-Dimethylphenoxy)ethoxy]phenyl]methylene]-5,6-dihydro-5-imino-2-(trifluoromethyl)-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.