![methyl 4-{(Z)-[2-(3,4-dimethoxyphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}benzoate structure](/static/products/5779/577990-00-2.webp)
methyl 4-{(Z)-[2-(3,4-dimethoxyphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}benzoate
TL;DR: methyl 4-{(Z)-[2-(3,4-dimethoxyphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}benzoate (CAS 577990-00-2) is a chemical compound with molecular formula C21H17N3O5S and molecular weight 423.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(Z)-[2-(3,4-dimethoxyphenyl)-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene]methyl]benzoate
Also Known As: methyl 4-{(Z)-[2-(3,4-dimethoxyphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}benzoate, (Z)-methyl 4-((2-(3,4-dimethoxyphenyl)-6-oxothiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene)methyl)benzoate, methyl 4-[(Z)-[2-(3,4-dimethoxyphenyl)-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene]methyl]benzoate, METHYL 4-{[(5Z)-2-(3,4-DIMETHOXYPHENYL)-6-OXO-5H,6H-[1,2,4]TRIAZOLO[3,2-B][1,3]THIAZOL-5-YLIDENE]METHYL}BENZOATE
| Molecular Formula | C21H17N3O5S |
|---|---|
| Molecular Weight | 423.09 g/mol |
| LogP | 2.1695 |
| Topological Polar Surface Area | 92.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 423.0889 |
| Heavy Atoms | 30 |
| Complexity | 1341.7246 |
Chemical Identifiers
| CAS Number | 577990-00-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NN3C(=O)/C(=C/C4=CC=C(C=C4)C(=O)OC)/SC3=N2)OC |
Product Overview
methyl 4-{(Z)-[2-(3,4-dimethoxyphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}benzoate (CAS 577990-00-2), with molecular formula C21H17N3O5S and molecular weight 423.09 g/mol. IUPAC: methyl 4-[(Z)-[2-(3,4-dimethoxyphenyl)-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene]methyl]benzoate.
Chemical Property Profile of methyl 4-{(Z)-[2-(3,4-dimethoxyphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}benzoate
Property Insights of methyl 4-{(Z)-[2-(3,4-dimethoxyphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}benzoate
The XLogP value of 2.1695 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-{(Z)-[2-(3,4-dimethoxyphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}benzoate. The TPSA of 92.02 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-{(Z)-[2-(3,4-dimethoxyphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}benzoate. Following Lipinski's Rule of Five, methyl 4-{(Z)-[2-(3,4-dimethoxyphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}benzoate has 0 hydrogen bond donor(s) and 8 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)-[2-(3,4-dimethoxyphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}benzoate?
The CAS number of methyl 4-{(Z)-[2-(3,4-dimethoxyphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}benzoate is 577990-00-2.
What is the molecular formula of methyl 4-{(Z)-[2-(3,4-dimethoxyphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}benzoate?
The molecular formula of methyl 4-{(Z)-[2-(3,4-dimethoxyphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}benzoate is C21H17N3O5S.
What is the molecular weight of methyl 4-{(Z)-[2-(3,4-dimethoxyphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}benzoate?
The molecular weight of methyl 4-{(Z)-[2-(3,4-dimethoxyphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}benzoate is 423.09 g/mol.
Where can I buy methyl 4-{(Z)-[2-(3,4-dimethoxyphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}benzoate?
You can request a quote for methyl 4-{(Z)-[2-(3,4-dimethoxyphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-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)-[2-(3,4-dimethoxyphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-{(Z)-[2-(3,4-dimethoxyphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.