![Propan-2-yl 7-methyl-2-[(3-{3-methyl-4-[(propan-2-yl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-5-[4-(methylsulfanyl)phenyl]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate structure](/static/products/6998/6998-28-3.webp)
Propan-2-yl 7-methyl-2-[(3-{3-methyl-4-[(propan-2-yl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-5-[4-(methylsulfanyl)phenyl]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
TL;DR: Propan-2-yl 7-methyl-2-[(3-{3-methyl-4-[(propan-2-yl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-5-[4-(methylsulfanyl)phenyl]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CAS 6998-28-3) is a chemical compound with molecular formula C38H38N4O4S2 and molecular weight 678.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 7-methyl-2-[[3-(3-methyl-4-propan-2-yloxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-5-(4-methylsulfanylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: Propan-2-yl 7-methyl-2-[(3-{3-methyl-4-[(propan-2-yl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-5-[4-(methylsulfanyl)phenyl]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, PROPAN-2-YL 4-METHYL-8-[[3-(3-METHYL-4-PROPAN-2-YLOXY-PHENYL)-1-PHENYL-PYRAZOL-4-YL]METHYLIDENE]-2-(4-METHYLSULFANYLPHENYL)-9-OXO-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE, propan-2-yl 7-methyl-2-[[3-(3-methyl-4-propan-2-yloxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-5-(4-methylsulfanylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C38H38N4O4S2 |
|---|---|
| Molecular Weight | 678.23 g/mol |
| LogP | 6.85702 |
| Topological Polar Surface Area | 87.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 678.23346 |
| Heavy Atoms | 48 |
| Complexity | 2193.482 |
Chemical Identifiers
| CAS Number | 6998-28-3 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C2=NN(C=C2C=C3C(=O)N4C(C(=C(N=C4S3)C)C(=O)OC(C)C)C5=CC=C(C=C5)SC)C6=CC=CC=C6)OC(C)C |
Product Overview
Propan-2-yl 7-methyl-2-[(3-{3-methyl-4-[(propan-2-yl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-5-[4-(methylsulfanyl)phenyl]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CAS 6998-28-3), with molecular formula C38H38N4O4S2 and molecular weight 678.23 g/mol. IUPAC: propan-2-yl 7-methyl-2-[[3-(3-methyl-4-propan-2-yloxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-5-(4-methylsulfanylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of Propan-2-yl 7-methyl-2-[(3-{3-methyl-4-[(propan-2-yl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-5-[4-(methylsulfanyl)phenyl]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Property Insights of Propan-2-yl 7-methyl-2-[(3-{3-methyl-4-[(propan-2-yl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-5-[4-(methylsulfanyl)phenyl]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
The XLogP value of 6.85702 indicates that Propan-2-yl 7-methyl-2-[(3-{3-methyl-4-[(propan-2-yl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-5-[4-(methylsulfanyl)phenyl]-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 87.71 Ų falls within the moderate polarity range, balancing permeability and solubility for Propan-2-yl 7-methyl-2-[(3-{3-methyl-4-[(propan-2-yl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-5-[4-(methylsulfanyl)phenyl]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate. Following Lipinski's Rule of Five, Propan-2-yl 7-methyl-2-[(3-{3-methyl-4-[(propan-2-yl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-5-[4-(methylsulfanyl)phenyl]-3-oxo-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-2-[(3-{3-methyl-4-[(propan-2-yl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-5-[4-(methylsulfanyl)phenyl]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The CAS number of Propan-2-yl 7-methyl-2-[(3-{3-methyl-4-[(propan-2-yl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-5-[4-(methylsulfanyl)phenyl]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is 6998-28-3.
What is the molecular formula of Propan-2-yl 7-methyl-2-[(3-{3-methyl-4-[(propan-2-yl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-5-[4-(methylsulfanyl)phenyl]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The molecular formula of Propan-2-yl 7-methyl-2-[(3-{3-methyl-4-[(propan-2-yl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-5-[4-(methylsulfanyl)phenyl]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is C38H38N4O4S2.
What is the molecular weight of Propan-2-yl 7-methyl-2-[(3-{3-methyl-4-[(propan-2-yl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-5-[4-(methylsulfanyl)phenyl]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The molecular weight of Propan-2-yl 7-methyl-2-[(3-{3-methyl-4-[(propan-2-yl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-5-[4-(methylsulfanyl)phenyl]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is 678.23 g/mol.
Where can I buy Propan-2-yl 7-methyl-2-[(3-{3-methyl-4-[(propan-2-yl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-5-[4-(methylsulfanyl)phenyl]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
You can request a quote for Propan-2-yl 7-methyl-2-[(3-{3-methyl-4-[(propan-2-yl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-5-[4-(methylsulfanyl)phenyl]-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 Propan-2-yl 7-methyl-2-[(3-{3-methyl-4-[(propan-2-yl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-5-[4-(methylsulfanyl)phenyl]-3-oxo-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-2-[(3-{3-methyl-4-[(propan-2-yl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-5-[4-(methylsulfanyl)phenyl]-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.