![Ethyl 5-[4-(methoxycarbonyl)phenyl]-7-methyl-3-oxo-2-[(1-phenyl-3-{4-[(propan-2-yl)oxy]phenyl}-1H-pyrazol-4-yl)methylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate structure](/static/products/6998/6998-25-0.webp)
Ethyl 5-[4-(methoxycarbonyl)phenyl]-7-methyl-3-oxo-2-[(1-phenyl-3-{4-[(propan-2-yl)oxy]phenyl}-1H-pyrazol-4-yl)methylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
TL;DR: Ethyl 5-[4-(methoxycarbonyl)phenyl]-7-methyl-3-oxo-2-[(1-phenyl-3-{4-[(propan-2-yl)oxy]phenyl}-1H-pyrazol-4-yl)methylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CAS 6998-25-0) is a chemical compound with molecular formula C37H34N4O6S and molecular weight 662.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(4-methoxycarbonylphenyl)-7-methyl-3-oxo-2-[[1-phenyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: Ethyl 5-[4-(methoxycarbonyl)phenyl]-7-methyl-3-oxo-2-[(1-phenyl-3-{4-[(propan-2-yl)oxy]phenyl}-1H-pyrazol-4-yl)methylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ETHYL 2-(4-METHOXYCARBONYLPHENYL)-4-METHYL-9-OXO-8-[[1-PHENYL-3-(4-PROPAN-2-YLOXYPHENYL)PYRAZOL-4-YL]METHYLIDENE]-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE, ethyl 5-(4-methoxycarbonylphenyl)-7-methyl-3-oxo-2-[[1-phenyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C37H34N4O6S |
|---|---|
| Molecular Weight | 662.22 g/mol |
| LogP | 5.2248 |
| Topological Polar Surface Area | 114.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 662.2199 |
| Heavy Atoms | 48 |
| Complexity | 2194.6414 |
Chemical Identifiers
| CAS Number | 6998-25-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)C(=O)OC)C(=O)C(=CC4=CN(N=C4C5=CC=C(C=C5)OC(C)C)C6=CC=CC=C6)S2)C |
Product Overview
Ethyl 5-[4-(methoxycarbonyl)phenyl]-7-methyl-3-oxo-2-[(1-phenyl-3-{4-[(propan-2-yl)oxy]phenyl}-1H-pyrazol-4-yl)methylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CAS 6998-25-0), with molecular formula C37H34N4O6S and molecular weight 662.22 g/mol. IUPAC: ethyl 5-(4-methoxycarbonylphenyl)-7-methyl-3-oxo-2-[[1-phenyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of Ethyl 5-[4-(methoxycarbonyl)phenyl]-7-methyl-3-oxo-2-[(1-phenyl-3-{4-[(propan-2-yl)oxy]phenyl}-1H-pyrazol-4-yl)methylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Property Insights of Ethyl 5-[4-(methoxycarbonyl)phenyl]-7-methyl-3-oxo-2-[(1-phenyl-3-{4-[(propan-2-yl)oxy]phenyl}-1H-pyrazol-4-yl)methylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
The XLogP value of 5.2248 indicates that Ethyl 5-[4-(methoxycarbonyl)phenyl]-7-methyl-3-oxo-2-[(1-phenyl-3-{4-[(propan-2-yl)oxy]phenyl}-1H-pyrazol-4-yl)methylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.01 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-[4-(methoxycarbonyl)phenyl]-7-methyl-3-oxo-2-[(1-phenyl-3-{4-[(propan-2-yl)oxy]phenyl}-1H-pyrazol-4-yl)methylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate. Following Lipinski's Rule of Five, Ethyl 5-[4-(methoxycarbonyl)phenyl]-7-methyl-3-oxo-2-[(1-phenyl-3-{4-[(propan-2-yl)oxy]phenyl}-1H-pyrazol-4-yl)methylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 5-[4-(methoxycarbonyl)phenyl]-7-methyl-3-oxo-2-[(1-phenyl-3-{4-[(propan-2-yl)oxy]phenyl}-1H-pyrazol-4-yl)methylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The CAS number of Ethyl 5-[4-(methoxycarbonyl)phenyl]-7-methyl-3-oxo-2-[(1-phenyl-3-{4-[(propan-2-yl)oxy]phenyl}-1H-pyrazol-4-yl)methylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is 6998-25-0.
What is the molecular formula of Ethyl 5-[4-(methoxycarbonyl)phenyl]-7-methyl-3-oxo-2-[(1-phenyl-3-{4-[(propan-2-yl)oxy]phenyl}-1H-pyrazol-4-yl)methylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The molecular formula of Ethyl 5-[4-(methoxycarbonyl)phenyl]-7-methyl-3-oxo-2-[(1-phenyl-3-{4-[(propan-2-yl)oxy]phenyl}-1H-pyrazol-4-yl)methylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is C37H34N4O6S.
What is the molecular weight of Ethyl 5-[4-(methoxycarbonyl)phenyl]-7-methyl-3-oxo-2-[(1-phenyl-3-{4-[(propan-2-yl)oxy]phenyl}-1H-pyrazol-4-yl)methylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The molecular weight of Ethyl 5-[4-(methoxycarbonyl)phenyl]-7-methyl-3-oxo-2-[(1-phenyl-3-{4-[(propan-2-yl)oxy]phenyl}-1H-pyrazol-4-yl)methylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is 662.22 g/mol.
Where can I buy Ethyl 5-[4-(methoxycarbonyl)phenyl]-7-methyl-3-oxo-2-[(1-phenyl-3-{4-[(propan-2-yl)oxy]phenyl}-1H-pyrazol-4-yl)methylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
You can request a quote for Ethyl 5-[4-(methoxycarbonyl)phenyl]-7-methyl-3-oxo-2-[(1-phenyl-3-{4-[(propan-2-yl)oxy]phenyl}-1H-pyrazol-4-yl)methylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-[4-(methoxycarbonyl)phenyl]-7-methyl-3-oxo-2-[(1-phenyl-3-{4-[(propan-2-yl)oxy]phenyl}-1H-pyrazol-4-yl)methylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-[4-(methoxycarbonyl)phenyl]-7-methyl-3-oxo-2-[(1-phenyl-3-{4-[(propan-2-yl)oxy]phenyl}-1H-pyrazol-4-yl)methylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.