![(7Z)-3-(3-chloro-4-methylphenyl)-7-(3,4-dimethoxybenzylidene)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one structure](/static/products/836/836639-86-2.png)
(7Z)-3-(3-chloro-4-methylphenyl)-7-(3,4-dimethoxybenzylidene)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
TL;DR: (7Z)-3-(3-chloro-4-methylphenyl)-7-(3,4-dimethoxybenzylidene)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one (CAS 836639-86-2) is a chemical compound with molecular formula C21H20ClN3O3S and molecular weight 429.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7Z)-3-(3-chloro-4-methylphenyl)-7-[(3,4-dimethoxyphenyl)methylidene]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
Also Known As: (7Z)-3-(3-chloro-4-methylphenyl)-7-(3,4-dimethoxybenzylidene)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one, (7Z)-3-(3-chloro-4-methylphenyl)-7-[(3,4-dimethoxyphenyl)methylidene]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one, (Z)-3-(3-chloro-4-methylphenyl)-7-(3,4-dimethoxybenzylidene)-3,4-dihydro-2H-thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
| Molecular Formula | C21H20ClN3O3S |
|---|---|
| Molecular Weight | 429.09 g/mol |
| LogP | 2.77242 |
| Topological Polar Surface Area | 56.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 429.0914 |
| Heavy Atoms | 29 |
| Complexity | 1249.0328 |
Chemical Identifiers
| CAS Number | 836639-86-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2CN=C3N(C2)C(=O)/C(=C/C4=CC(=C(C=C4)OC)OC)/S3)Cl |
Product Overview
(7Z)-3-(3-chloro-4-methylphenyl)-7-(3,4-dimethoxybenzylidene)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one (CAS 836639-86-2), with molecular formula C21H20ClN3O3S and molecular weight 429.09 g/mol. IUPAC: (7Z)-3-(3-chloro-4-methylphenyl)-7-[(3,4-dimethoxyphenyl)methylidene]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one.
Chemical Property Profile of (7Z)-3-(3-chloro-4-methylphenyl)-7-(3,4-dimethoxybenzylidene)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
Property Insights of (7Z)-3-(3-chloro-4-methylphenyl)-7-(3,4-dimethoxybenzylidene)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
The XLogP value of 2.77242 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (7Z)-3-(3-chloro-4-methylphenyl)-7-(3,4-dimethoxybenzylidene)-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 56.06 Ų, (7Z)-3-(3-chloro-4-methylphenyl)-7-(3,4-dimethoxybenzylidene)-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)-3-(3-chloro-4-methylphenyl)-7-(3,4-dimethoxybenzylidene)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one has 0 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 (7Z)-3-(3-chloro-4-methylphenyl)-7-(3,4-dimethoxybenzylidene)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one?
The CAS number of (7Z)-3-(3-chloro-4-methylphenyl)-7-(3,4-dimethoxybenzylidene)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one is 836639-86-2.
What is the molecular formula of (7Z)-3-(3-chloro-4-methylphenyl)-7-(3,4-dimethoxybenzylidene)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one?
The molecular formula of (7Z)-3-(3-chloro-4-methylphenyl)-7-(3,4-dimethoxybenzylidene)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one is C21H20ClN3O3S.
What is the molecular weight of (7Z)-3-(3-chloro-4-methylphenyl)-7-(3,4-dimethoxybenzylidene)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one?
The molecular weight of (7Z)-3-(3-chloro-4-methylphenyl)-7-(3,4-dimethoxybenzylidene)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one is 429.09 g/mol.
Where can I buy (7Z)-3-(3-chloro-4-methylphenyl)-7-(3,4-dimethoxybenzylidene)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one?
You can request a quote for (7Z)-3-(3-chloro-4-methylphenyl)-7-(3,4-dimethoxybenzylidene)-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)-3-(3-chloro-4-methylphenyl)-7-(3,4-dimethoxybenzylidene)-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)-3-(3-chloro-4-methylphenyl)-7-(3,4-dimethoxybenzylidene)-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.