![ETHYL (8Z)-4-METHYL-8-[[3-(4-METHYLPHENYL)-1-PHENYL-PYRAZOL-4-YL]METHYLIDENE]-9-OXO-2-PHENYL-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE structure](/static/products/5874/5874-40-8.webp)
ETHYL (8Z)-4-METHYL-8-[[3-(4-METHYLPHENYL)-1-PHENYL-PYRAZOL-4-YL]METHYLIDENE]-9-OXO-2-PHENYL-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE
TL;DR: ETHYL (8Z)-4-METHYL-8-[[3-(4-METHYLPHENYL)-1-PHENYL-PYRAZOL-4-YL]METHYLIDENE]-9-OXO-2-PHENYL-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE (CAS 5874-40-8) is a chemical compound with molecular formula C33H28N4O3S and molecular weight 560.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 7-methyl-2-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: ETHYL (8Z)-4-METHYL-8-[[3-(4-METHYLPHENYL)-1-PHENYL-PYRAZOL-4-YL]METHYLIDENE]-9-OXO-2-PHENYL-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE, ethyl 7-methyl-2-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, Ethyl 7-methyl-2-{[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C33H28N4O3S |
|---|---|
| Molecular Weight | 560.19 g/mol |
| LogP | 4.95942 |
| Topological Polar Surface Area | 78.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 560.18823 |
| Heavy Atoms | 41 |
| Complexity | 1950.8275 |
Chemical Identifiers
| CAS Number | 5874-40-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3)C(=O)C(=CC4=CN(N=C4C5=CC=C(C=C5)C)C6=CC=CC=C6)S2)C |
Product Overview
ETHYL (8Z)-4-METHYL-8-[[3-(4-METHYLPHENYL)-1-PHENYL-PYRAZOL-4-YL]METHYLIDENE]-9-OXO-2-PHENYL-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE (CAS 5874-40-8), with molecular formula C33H28N4O3S and molecular weight 560.19 g/mol. IUPAC: ethyl 7-methyl-2-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of ETHYL (8Z)-4-METHYL-8-[[3-(4-METHYLPHENYL)-1-PHENYL-PYRAZOL-4-YL]METHYLIDENE]-9-OXO-2-PHENYL-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE
Property Insights of ETHYL (8Z)-4-METHYL-8-[[3-(4-METHYLPHENYL)-1-PHENYL-PYRAZOL-4-YL]METHYLIDENE]-9-OXO-2-PHENYL-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE
The XLogP value of 4.95942 indicates that ETHYL (8Z)-4-METHYL-8-[[3-(4-METHYLPHENYL)-1-PHENYL-PYRAZOL-4-YL]METHYLIDENE]-9-OXO-2-PHENYL-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.48 Ų falls within the moderate polarity range, balancing permeability and solubility for ETHYL (8Z)-4-METHYL-8-[[3-(4-METHYLPHENYL)-1-PHENYL-PYRAZOL-4-YL]METHYLIDENE]-9-OXO-2-PHENYL-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE. Following Lipinski's Rule of Five, ETHYL (8Z)-4-METHYL-8-[[3-(4-METHYLPHENYL)-1-PHENYL-PYRAZOL-4-YL]METHYLIDENE]-9-OXO-2-PHENYL-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ETHYL (8Z)-4-METHYL-8-[[3-(4-METHYLPHENYL)-1-PHENYL-PYRAZOL-4-YL]METHYLIDENE]-9-OXO-2-PHENYL-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE?
The CAS number of ETHYL (8Z)-4-METHYL-8-[[3-(4-METHYLPHENYL)-1-PHENYL-PYRAZOL-4-YL]METHYLIDENE]-9-OXO-2-PHENYL-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE is 5874-40-8.
What is the molecular formula of ETHYL (8Z)-4-METHYL-8-[[3-(4-METHYLPHENYL)-1-PHENYL-PYRAZOL-4-YL]METHYLIDENE]-9-OXO-2-PHENYL-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE?
The molecular formula of ETHYL (8Z)-4-METHYL-8-[[3-(4-METHYLPHENYL)-1-PHENYL-PYRAZOL-4-YL]METHYLIDENE]-9-OXO-2-PHENYL-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE is C33H28N4O3S.
What is the molecular weight of ETHYL (8Z)-4-METHYL-8-[[3-(4-METHYLPHENYL)-1-PHENYL-PYRAZOL-4-YL]METHYLIDENE]-9-OXO-2-PHENYL-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE?
The molecular weight of ETHYL (8Z)-4-METHYL-8-[[3-(4-METHYLPHENYL)-1-PHENYL-PYRAZOL-4-YL]METHYLIDENE]-9-OXO-2-PHENYL-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE is 560.19 g/mol.
Where can I buy ETHYL (8Z)-4-METHYL-8-[[3-(4-METHYLPHENYL)-1-PHENYL-PYRAZOL-4-YL]METHYLIDENE]-9-OXO-2-PHENYL-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE?
You can request a quote for ETHYL (8Z)-4-METHYL-8-[[3-(4-METHYLPHENYL)-1-PHENYL-PYRAZOL-4-YL]METHYLIDENE]-9-OXO-2-PHENYL-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ETHYL (8Z)-4-METHYL-8-[[3-(4-METHYLPHENYL)-1-PHENYL-PYRAZOL-4-YL]METHYLIDENE]-9-OXO-2-PHENYL-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE?
Yes, KEHONG BIO provides custom synthesis services for ETHYL (8Z)-4-METHYL-8-[[3-(4-METHYLPHENYL)-1-PHENYL-PYRAZOL-4-YL]METHYLIDENE]-9-OXO-2-PHENYL-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.