![methyl 4-{(Z)-[6-(2-chlorobenzyl)-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene]methyl}benzoate structure](/static/products/6381/638134-65-3.webp)
methyl 4-{(Z)-[6-(2-chlorobenzyl)-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene]methyl}benzoate
TL;DR: methyl 4-{(Z)-[6-(2-chlorobenzyl)-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene]methyl}benzoate (CAS 638134-65-3) is a chemical compound with molecular formula C21H14ClN3O4S and molecular weight 439.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(Z)-[6-[(2-chlorophenyl)methyl]-3,7-dioxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-2-ylidene]methyl]benzoate
Also Known As: methyl 4-{(Z)-[6-(2-chlorobenzyl)-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene]methyl}benzoate, (Z)-methyl 4-((6-(2-chlorobenzyl)-3,7-dioxo-3,7-dihydro-2H-thiazolo[3,2-b][1,2,4]triazin-2-ylidene)methyl)benzoate, methyl 4-({6-[(2-chlorophenyl)methyl]-3,7-dioxo-1,3-thiazolidino[3,2-b]1,2,4-t riazin-2-ylidene}methyl)benzoate, methyl 4-[(Z)-[6-[(2-chlorophenyl)methyl]-3,7-dioxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-2-ylidene]methyl]benzoate
| Molecular Formula | C21H14ClN3O4S |
|---|---|
| Molecular Weight | 439.04 g/mol |
| LogP | 2.0897 |
| Topological Polar Surface Area | 90.63 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 439.03937 |
| Heavy Atoms | 30 |
| Complexity | 1427.6516 |
Chemical Identifiers
| CAS Number | 638134-65-3 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)/C=C\2/C(=O)N3C(=NC(=O)C(=N3)CC4=CC=CC=C4Cl)S2 |
Product Overview
methyl 4-{(Z)-[6-(2-chlorobenzyl)-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene]methyl}benzoate (CAS 638134-65-3), with molecular formula C21H14ClN3O4S and molecular weight 439.04 g/mol. IUPAC: methyl 4-[(Z)-[6-[(2-chlorophenyl)methyl]-3,7-dioxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-2-ylidene]methyl]benzoate.
Chemical Property Profile of methyl 4-{(Z)-[6-(2-chlorobenzyl)-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene]methyl}benzoate
Property Insights of methyl 4-{(Z)-[6-(2-chlorobenzyl)-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene]methyl}benzoate
The XLogP value of 2.0897 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-{(Z)-[6-(2-chlorobenzyl)-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene]methyl}benzoate. The TPSA of 90.63 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-{(Z)-[6-(2-chlorobenzyl)-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene]methyl}benzoate. Following Lipinski's Rule of Five, methyl 4-{(Z)-[6-(2-chlorobenzyl)-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene]methyl}benzoate has 0 hydrogen bond donor(s) and 7 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 methyl 4-{(Z)-[6-(2-chlorobenzyl)-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene]methyl}benzoate?
The CAS number of methyl 4-{(Z)-[6-(2-chlorobenzyl)-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene]methyl}benzoate is 638134-65-3.
What is the molecular formula of methyl 4-{(Z)-[6-(2-chlorobenzyl)-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene]methyl}benzoate?
The molecular formula of methyl 4-{(Z)-[6-(2-chlorobenzyl)-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene]methyl}benzoate is C21H14ClN3O4S.
What is the molecular weight of methyl 4-{(Z)-[6-(2-chlorobenzyl)-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene]methyl}benzoate?
The molecular weight of methyl 4-{(Z)-[6-(2-chlorobenzyl)-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene]methyl}benzoate is 439.04 g/mol.
Where can I buy methyl 4-{(Z)-[6-(2-chlorobenzyl)-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene]methyl}benzoate?
You can request a quote for methyl 4-{(Z)-[6-(2-chlorobenzyl)-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene]methyl}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-{(Z)-[6-(2-chlorobenzyl)-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene]methyl}benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-{(Z)-[6-(2-chlorobenzyl)-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene]methyl}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.