![(7Z)-7-(4-chlorobenzylidene)-3-(3-nitrophenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one structure](/static/products/672/672329-87-2.png)
(7Z)-7-(4-chlorobenzylidene)-3-(3-nitrophenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
TL;DR: (7Z)-7-(4-chlorobenzylidene)-3-(3-nitrophenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one (CAS 672329-87-2) is a chemical compound with molecular formula C18H13ClN4O3S and molecular weight 400.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7Z)-7-[(4-chlorophenyl)methylidene]-3-(3-nitrophenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
Also Known As: (7Z)-7-(4-chlorobenzylidene)-3-(3-nitrophenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one, (7Z)-7-[(4-chlorophenyl)methylidene]-3-(3-nitrophenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one, (Z)-7-(4-chlorobenzylidene)-3-(3-nitrophenyl)-3,4-dihydro-2H-thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
| Molecular Formula | C18H13ClN4O3S |
|---|---|
| Molecular Weight | 400.04 g/mol |
| LogP | 2.355 |
| Topological Polar Surface Area | 80.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 400.0397 |
| Heavy Atoms | 27 |
| Complexity | 1200.5801 |
Chemical Identifiers
| CAS Number | 672329-87-2 |
|---|---|
| SMILES | C1N=C2N(CN1C3=CC(=CC=C3)[N+](=O)[O-])C(=O)/C(=C/C4=CC=C(C=C4)Cl)/S2 |
Product Overview
(7Z)-7-(4-chlorobenzylidene)-3-(3-nitrophenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one (CAS 672329-87-2), with molecular formula C18H13ClN4O3S and molecular weight 400.04 g/mol. IUPAC: (7Z)-7-[(4-chlorophenyl)methylidene]-3-(3-nitrophenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one.
Chemical Property Profile of (7Z)-7-(4-chlorobenzylidene)-3-(3-nitrophenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
Property Insights of (7Z)-7-(4-chlorobenzylidene)-3-(3-nitrophenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
The XLogP value of 2.355 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (7Z)-7-(4-chlorobenzylidene)-3-(3-nitrophenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one. The TPSA of 80.74 Ų falls within the moderate polarity range, balancing permeability and solubility for (7Z)-7-(4-chlorobenzylidene)-3-(3-nitrophenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one. Following Lipinski's Rule of Five, (7Z)-7-(4-chlorobenzylidene)-3-(3-nitrophenyl)-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)-7-(4-chlorobenzylidene)-3-(3-nitrophenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one?
The CAS number of (7Z)-7-(4-chlorobenzylidene)-3-(3-nitrophenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one is 672329-87-2.
What is the molecular formula of (7Z)-7-(4-chlorobenzylidene)-3-(3-nitrophenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one?
The molecular formula of (7Z)-7-(4-chlorobenzylidene)-3-(3-nitrophenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one is C18H13ClN4O3S.
What is the molecular weight of (7Z)-7-(4-chlorobenzylidene)-3-(3-nitrophenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one?
The molecular weight of (7Z)-7-(4-chlorobenzylidene)-3-(3-nitrophenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one is 400.04 g/mol.
Where can I buy (7Z)-7-(4-chlorobenzylidene)-3-(3-nitrophenyl)-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-(4-chlorobenzylidene)-3-(3-nitrophenyl)-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-(4-chlorobenzylidene)-3-(3-nitrophenyl)-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-(4-chlorobenzylidene)-3-(3-nitrophenyl)-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.