![METHYL 4-[(E)-(2-(4-ETHOXYPHENYL)-6-OXO[1,3]THIAZOLO[3,2-B][1,2,4]TRIAZOL-5(6H)-YLIDENE)METHYL]BENZOATE structure](/static/products/606/606962-72-5.png)
METHYL 4-[(E)-(2-(4-ETHOXYPHENYL)-6-OXO[1,3]THIAZOLO[3,2-B][1,2,4]TRIAZOL-5(6H)-YLIDENE)METHYL]BENZOATE
TL;DR: METHYL 4-[(E)-(2-(4-ETHOXYPHENYL)-6-OXO[1,3]THIAZOLO[3,2-B][1,2,4]TRIAZOL-5(6H)-YLIDENE)METHYL]BENZOATE (CAS 606962-72-5) is a chemical compound with molecular formula C21H17N3O4S and molecular weight 407.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(E)-[2-(4-ethoxyphenyl)-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene]methyl]benzoate
Also Known As: METHYL 4-[(E)-(2-(4-ETHOXYPHENYL)-6-OXO[1,3]THIAZOLO[3,2-B][1,2,4]TRIAZOL-5(6H)-YLIDENE)METHYL]BENZOATE, 645-616-6, Methyl 4-((E)-(2-(4-ethoxyphenyl)-6-oxo(1,3)thiazolo(3,2-B)(1,2,4)triazol-5(6H)-ylidene)methyl)benzoate, methyl 4-[(E)-[2-(4-ethoxyphenyl)-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene]methyl]benzoate, methyl 4-{(E)-[2-(4-ethoxyphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}benzoate
| Molecular Formula | C21H17N3O4S |
|---|---|
| Molecular Weight | 407.09 g/mol |
| LogP | 2.551 |
| Topological Polar Surface Area | 82.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 407.09396 |
| Heavy Atoms | 29 |
| Complexity | 1274.7076 |
Chemical Identifiers
| CAS Number | 606962-72-5 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2=NN3C(=O)/C(=C\C4=CC=C(C=C4)C(=O)OC)/SC3=N2 |
Product Overview
METHYL 4-[(E)-(2-(4-ETHOXYPHENYL)-6-OXO[1,3]THIAZOLO[3,2-B][1,2,4]TRIAZOL-5(6H)-YLIDENE)METHYL]BENZOATE (CAS 606962-72-5), with molecular formula C21H17N3O4S and molecular weight 407.09 g/mol. IUPAC: methyl 4-[(E)-[2-(4-ethoxyphenyl)-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene]methyl]benzoate.
Chemical Property Profile of METHYL 4-[(E)-(2-(4-ETHOXYPHENYL)-6-OXO[1,3]THIAZOLO[3,2-B][1,2,4]TRIAZOL-5(6H)-YLIDENE)METHYL]BENZOATE
Property Insights of METHYL 4-[(E)-(2-(4-ETHOXYPHENYL)-6-OXO[1,3]THIAZOLO[3,2-B][1,2,4]TRIAZOL-5(6H)-YLIDENE)METHYL]BENZOATE
The XLogP value of 2.551 suggests moderate lipophilicity, balancing water solubility and membrane permeability for METHYL 4-[(E)-(2-(4-ETHOXYPHENYL)-6-OXO[1,3]THIAZOLO[3,2-B][1,2,4]TRIAZOL-5(6H)-YLIDENE)METHYL]BENZOATE. The TPSA of 82.79 Ų falls within the moderate polarity range, balancing permeability and solubility for METHYL 4-[(E)-(2-(4-ETHOXYPHENYL)-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-[(E)-(2-(4-ETHOXYPHENYL)-6-OXO[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-[(E)-(2-(4-ETHOXYPHENYL)-6-OXO[1,3]THIAZOLO[3,2-B][1,2,4]TRIAZOL-5(6H)-YLIDENE)METHYL]BENZOATE?
The CAS number of METHYL 4-[(E)-(2-(4-ETHOXYPHENYL)-6-OXO[1,3]THIAZOLO[3,2-B][1,2,4]TRIAZOL-5(6H)-YLIDENE)METHYL]BENZOATE is 606962-72-5.
What is the molecular formula of METHYL 4-[(E)-(2-(4-ETHOXYPHENYL)-6-OXO[1,3]THIAZOLO[3,2-B][1,2,4]TRIAZOL-5(6H)-YLIDENE)METHYL]BENZOATE?
The molecular formula of METHYL 4-[(E)-(2-(4-ETHOXYPHENYL)-6-OXO[1,3]THIAZOLO[3,2-B][1,2,4]TRIAZOL-5(6H)-YLIDENE)METHYL]BENZOATE is C21H17N3O4S.
What is the molecular weight of METHYL 4-[(E)-(2-(4-ETHOXYPHENYL)-6-OXO[1,3]THIAZOLO[3,2-B][1,2,4]TRIAZOL-5(6H)-YLIDENE)METHYL]BENZOATE?
The molecular weight of METHYL 4-[(E)-(2-(4-ETHOXYPHENYL)-6-OXO[1,3]THIAZOLO[3,2-B][1,2,4]TRIAZOL-5(6H)-YLIDENE)METHYL]BENZOATE is 407.09 g/mol.
Where can I buy METHYL 4-[(E)-(2-(4-ETHOXYPHENYL)-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-[(E)-(2-(4-ETHOXYPHENYL)-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-[(E)-(2-(4-ETHOXYPHENYL)-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-[(E)-(2-(4-ETHOXYPHENYL)-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.