![(7Z)-7-(3-chlorobenzylidene)-3-(4-ethoxyphenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one structure](/static/products/836/836626-45-0.png)
(7Z)-7-(3-chlorobenzylidene)-3-(4-ethoxyphenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
TL;DR: (7Z)-7-(3-chlorobenzylidene)-3-(4-ethoxyphenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one (CAS 836626-45-0) is a chemical compound with molecular formula C20H18ClN3O2S and molecular weight 399.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7Z)-7-[(3-chlorophenyl)methylidene]-3-(4-ethoxyphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
Also Known As: (7Z)-7-(3-chlorobenzylidene)-3-(4-ethoxyphenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one, (7Z)-7-[(3-chlorophenyl)methylidene]-3-(4-ethoxyphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one, (Z)-7-(3-chlorobenzylidene)-3-(4-ethoxyphenyl)-3,4-dihydro-2H-thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
| Molecular Formula | C20H18ClN3O2S |
|---|---|
| Molecular Weight | 399.08 g/mol |
| LogP | 2.8455 |
| Topological Polar Surface Area | 46.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 399.0808 |
| Heavy Atoms | 27 |
| Complexity | 1135.2689 |
Chemical Identifiers
| CAS Number | 836626-45-0 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2CN=C3N(C2)C(=O)/C(=C/C4=CC(=CC=C4)Cl)/S3 |
Product Overview
(7Z)-7-(3-chlorobenzylidene)-3-(4-ethoxyphenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one (CAS 836626-45-0), with molecular formula C20H18ClN3O2S and molecular weight 399.08 g/mol. IUPAC: (7Z)-7-[(3-chlorophenyl)methylidene]-3-(4-ethoxyphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one.
Chemical Property Profile of (7Z)-7-(3-chlorobenzylidene)-3-(4-ethoxyphenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
Property Insights of (7Z)-7-(3-chlorobenzylidene)-3-(4-ethoxyphenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
The XLogP value of 2.8455 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (7Z)-7-(3-chlorobenzylidene)-3-(4-ethoxyphenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one. With a topological polar surface area (TPSA) of 46.83 Ų, (7Z)-7-(3-chlorobenzylidene)-3-(4-ethoxyphenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (7Z)-7-(3-chlorobenzylidene)-3-(4-ethoxyphenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one has 0 hydrogen bond donor(s) and 5 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 (7Z)-7-(3-chlorobenzylidene)-3-(4-ethoxyphenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one?
The CAS number of (7Z)-7-(3-chlorobenzylidene)-3-(4-ethoxyphenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one is 836626-45-0.
What is the molecular formula of (7Z)-7-(3-chlorobenzylidene)-3-(4-ethoxyphenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one?
The molecular formula of (7Z)-7-(3-chlorobenzylidene)-3-(4-ethoxyphenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one is C20H18ClN3O2S.
What is the molecular weight of (7Z)-7-(3-chlorobenzylidene)-3-(4-ethoxyphenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one?
The molecular weight of (7Z)-7-(3-chlorobenzylidene)-3-(4-ethoxyphenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one is 399.08 g/mol.
Where can I buy (7Z)-7-(3-chlorobenzylidene)-3-(4-ethoxyphenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one?
You can request a quote for (7Z)-7-(3-chlorobenzylidene)-3-(4-ethoxyphenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (7Z)-7-(3-chlorobenzylidene)-3-(4-ethoxyphenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one?
Yes, KEHONG BIO provides custom synthesis services for (7Z)-7-(3-chlorobenzylidene)-3-(4-ethoxyphenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.