![Benzyl 7-methyl-5-[4-(methylsulfanyl)phenyl]-2-{[3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate structure](/static/products/6998/6998-05-6.webp)
Benzyl 7-methyl-5-[4-(methylsulfanyl)phenyl]-2-{[3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
TL;DR: Benzyl 7-methyl-5-[4-(methylsulfanyl)phenyl]-2-{[3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CAS 6998-05-6) is a chemical compound with molecular formula C38H29N5O5S2 and molecular weight 699.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 7-methyl-5-(4-methylsulfanylphenyl)-2-[[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: Benzyl 7-methyl-5-[4-(methylsulfanyl)phenyl]-2-{[3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, Phenol,4,4'-[(1,1,3,3-tetramethyl-1,3-disiloxanediyl)di-3,1-propanediyl]bis[2-methoxy-, benzyl 7-methyl-5-(4-methylsulfanylphenyl)-2-[[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C38H29N5O5S2 |
|---|---|
| Molecular Weight | 699.16 g/mol |
| LogP | 6.4614 |
| Topological Polar Surface Area | 121.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 699.161 |
| Heavy Atoms | 50 |
| Complexity | 2451.0872 |
Chemical Identifiers
| CAS Number | 6998-05-6 |
|---|---|
| SMILES | CC1=C(C(N2C(=O)C(=CC3=CN(N=C3C4=CC(=CC=C4)[N+](=O)[O-])C5=CC=CC=C5)SC2=N1)C6=CC=C(C=C6)SC)C(=O)OCC7=CC=CC=C7 |
Product Overview
Benzyl 7-methyl-5-[4-(methylsulfanyl)phenyl]-2-{[3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CAS 6998-05-6), with molecular formula C38H29N5O5S2 and molecular weight 699.16 g/mol. IUPAC: benzyl 7-methyl-5-(4-methylsulfanylphenyl)-2-[[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of Benzyl 7-methyl-5-[4-(methylsulfanyl)phenyl]-2-{[3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Property Insights of Benzyl 7-methyl-5-[4-(methylsulfanyl)phenyl]-2-{[3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
The XLogP value of 6.4614 indicates that Benzyl 7-methyl-5-[4-(methylsulfanyl)phenyl]-2-{[3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-oxo-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 121.62 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl 7-methyl-5-[4-(methylsulfanyl)phenyl]-2-{[3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate. Following Lipinski's Rule of Five, Benzyl 7-methyl-5-[4-(methylsulfanyl)phenyl]-2-{[3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-oxo-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 Benzyl 7-methyl-5-[4-(methylsulfanyl)phenyl]-2-{[3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The CAS number of Benzyl 7-methyl-5-[4-(methylsulfanyl)phenyl]-2-{[3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is 6998-05-6.
What is the molecular formula of Benzyl 7-methyl-5-[4-(methylsulfanyl)phenyl]-2-{[3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The molecular formula of Benzyl 7-methyl-5-[4-(methylsulfanyl)phenyl]-2-{[3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is C38H29N5O5S2.
What is the molecular weight of Benzyl 7-methyl-5-[4-(methylsulfanyl)phenyl]-2-{[3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The molecular weight of Benzyl 7-methyl-5-[4-(methylsulfanyl)phenyl]-2-{[3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is 699.16 g/mol.
Where can I buy Benzyl 7-methyl-5-[4-(methylsulfanyl)phenyl]-2-{[3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
You can request a quote for Benzyl 7-methyl-5-[4-(methylsulfanyl)phenyl]-2-{[3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-oxo-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 Benzyl 7-methyl-5-[4-(methylsulfanyl)phenyl]-2-{[3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 7-methyl-5-[4-(methylsulfanyl)phenyl]-2-{[3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-oxo-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.