![Propan-2-yl 7-methyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2-{[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methylidene}-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate structure](/static/products/6998/6998-06-7.webp)
Propan-2-yl 7-methyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2-{[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methylidene}-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
TL;DR: Propan-2-yl 7-methyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2-{[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methylidene}-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CAS 6998-06-7) is a chemical compound with molecular formula C32H28N4O3S3 and molecular weight 612.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-2-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: Propan-2-yl 7-methyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2-{[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methylidene}-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, PROPAN-2-YL 4-METHYL-2-(4-METHYLSULFANYLPHENYL)-9-OXO-8-[(1-PHENYL-3-THIOPHEN-2-YL-PYRAZOL-4-YL)METHYLIDENE]-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE, propan-2-yl 7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-2-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C32H28N4O3S3 |
|---|---|
| Molecular Weight | 612.13 g/mol |
| LogP | 5.8229 |
| Topological Polar Surface Area | 78.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 612.1323 |
| Heavy Atoms | 42 |
| Complexity | 1966.6716 |
Chemical Identifiers
| CAS Number | 6998-06-7 |
|---|---|
| SMILES | CC1=C(C(N2C(=O)C(=CC3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5)SC2=N1)C6=CC=C(C=C6)SC)C(=O)OC(C)C |
Product Overview
Propan-2-yl 7-methyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2-{[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methylidene}-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CAS 6998-06-7), with molecular formula C32H28N4O3S3 and molecular weight 612.13 g/mol. IUPAC: propan-2-yl 7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-2-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of Propan-2-yl 7-methyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2-{[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methylidene}-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Property Insights of Propan-2-yl 7-methyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2-{[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methylidene}-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
The XLogP value of 5.8229 indicates that Propan-2-yl 7-methyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2-{[1-phenyl-3-(thiophen-2-yl)-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 78.48 Ų falls within the moderate polarity range, balancing permeability and solubility for Propan-2-yl 7-methyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2-{[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methylidene}-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate. Following Lipinski's Rule of Five, Propan-2-yl 7-methyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2-{[1-phenyl-3-(thiophen-2-yl)-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 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Propan-2-yl 7-methyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2-{[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methylidene}-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The CAS number of Propan-2-yl 7-methyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2-{[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methylidene}-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is 6998-06-7.
What is the molecular formula of Propan-2-yl 7-methyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2-{[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methylidene}-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The molecular formula of Propan-2-yl 7-methyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2-{[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methylidene}-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is C32H28N4O3S3.
What is the molecular weight of Propan-2-yl 7-methyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2-{[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methylidene}-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The molecular weight of Propan-2-yl 7-methyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2-{[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methylidene}-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is 612.13 g/mol.
Where can I buy Propan-2-yl 7-methyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2-{[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methylidene}-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
You can request a quote for Propan-2-yl 7-methyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2-{[1-phenyl-3-(thiophen-2-yl)-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 Propan-2-yl 7-methyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2-{[1-phenyl-3-(thiophen-2-yl)-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 Propan-2-yl 7-methyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2-{[1-phenyl-3-(thiophen-2-yl)-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.