![methyl 4-[(Z)-{6-oxo-2-[(E)-2-(thiophen-2-yl)ethenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene}methyl]benzoate structure](/static/products/845/845635-74-7.png)
methyl 4-[(Z)-{6-oxo-2-[(E)-2-(thiophen-2-yl)ethenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene}methyl]benzoate
TL;DR: methyl 4-[(Z)-{6-oxo-2-[(E)-2-(thiophen-2-yl)ethenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene}methyl]benzoate (CAS 845635-74-7) is a chemical compound with molecular formula C19H13N3O3S2 and molecular weight 395.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(Z)-[6-oxo-2-[(E)-2-thiophen-2-ylethenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene]methyl]benzoate
Also Known As: methyl 4-[(Z)-{6-oxo-2-[(E)-2-(thiophen-2-yl)ethenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene}methyl]benzoate, methyl 4-((Z)-(6-oxo-2-((E)-2-(thiophen-2-yl)vinyl)thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene)methyl)benzoate, methyl 4-[(Z)-[6-oxo-2-[(E)-2-thiophen-2-ylethenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene]methyl]benzoate, METHYL 4-{[(5Z)-6-OXO-2-[(1E)-2-(THIOPHEN-2-YL)ETHENYL]-5H,6H-[1,2,4]TRIAZOLO[3,2-B][1,3]THIAZOL-5-YLIDENE]METHYL}BENZOATE
| Molecular Formula | C19H13N3O3S2 |
|---|---|
| Molecular Weight | 395.04 g/mol |
| LogP | 2.7172 |
| Topological Polar Surface Area | 73.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 395.03983 |
| Heavy Atoms | 27 |
| Complexity | 1236.0912 |
Chemical Identifiers
| CAS Number | 845635-74-7 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)/C=C\2/C(=O)N3C(=NC(=N3)/C=C/C4=CC=CS4)S2 |
Product Overview
methyl 4-[(Z)-{6-oxo-2-[(E)-2-(thiophen-2-yl)ethenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene}methyl]benzoate (CAS 845635-74-7), with molecular formula C19H13N3O3S2 and molecular weight 395.04 g/mol. IUPAC: methyl 4-[(Z)-[6-oxo-2-[(E)-2-thiophen-2-ylethenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene]methyl]benzoate.
Chemical Property Profile of methyl 4-[(Z)-{6-oxo-2-[(E)-2-(thiophen-2-yl)ethenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene}methyl]benzoate
Property Insights of methyl 4-[(Z)-{6-oxo-2-[(E)-2-(thiophen-2-yl)ethenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene}methyl]benzoate
The XLogP value of 2.7172 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-[(Z)-{6-oxo-2-[(E)-2-(thiophen-2-yl)ethenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene}methyl]benzoate. The TPSA of 73.56 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-[(Z)-{6-oxo-2-[(E)-2-(thiophen-2-yl)ethenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene}methyl]benzoate. Following Lipinski's Rule of Five, methyl 4-[(Z)-{6-oxo-2-[(E)-2-(thiophen-2-yl)ethenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-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-oxo-2-[(E)-2-(thiophen-2-yl)ethenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene}methyl]benzoate?
The CAS number of methyl 4-[(Z)-{6-oxo-2-[(E)-2-(thiophen-2-yl)ethenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene}methyl]benzoate is 845635-74-7.
What is the molecular formula of methyl 4-[(Z)-{6-oxo-2-[(E)-2-(thiophen-2-yl)ethenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene}methyl]benzoate?
The molecular formula of methyl 4-[(Z)-{6-oxo-2-[(E)-2-(thiophen-2-yl)ethenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene}methyl]benzoate is C19H13N3O3S2.
What is the molecular weight of methyl 4-[(Z)-{6-oxo-2-[(E)-2-(thiophen-2-yl)ethenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene}methyl]benzoate?
The molecular weight of methyl 4-[(Z)-{6-oxo-2-[(E)-2-(thiophen-2-yl)ethenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene}methyl]benzoate is 395.04 g/mol.
Where can I buy methyl 4-[(Z)-{6-oxo-2-[(E)-2-(thiophen-2-yl)ethenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene}methyl]benzoate?
You can request a quote for methyl 4-[(Z)-{6-oxo-2-[(E)-2-(thiophen-2-yl)ethenyl][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)-{6-oxo-2-[(E)-2-(thiophen-2-yl)ethenyl][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)-{6-oxo-2-[(E)-2-(thiophen-2-yl)ethenyl][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.