![Methyl 2-{[4-(acetyloxy)-3-methoxyphenyl]methylidene}-7-methyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate structure](/static/products/6997/6997-58-6.webp)
Methyl 2-{[4-(acetyloxy)-3-methoxyphenyl]methylidene}-7-methyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
TL;DR: Methyl 2-{[4-(acetyloxy)-3-methoxyphenyl]methylidene}-7-methyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CAS 6997-58-6) is a chemical compound with molecular formula C26H24N2O6S2 and molecular weight 524.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(4-acetyloxy-3-methoxyphenyl)methylidene]-7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: Methyl 2-{[4-(acetyloxy)-3-methoxyphenyl]methylidene}-7-methyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, methyl 2-[(4-acetyloxy-3-methoxyphenyl)methylidene]-7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C26H24N2O6S2 |
|---|---|
| Molecular Weight | 524.11 g/mol |
| LogP | 3.064 |
| Topological Polar Surface Area | 96.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 524.1076 |
| Heavy Atoms | 36 |
| Complexity | 1550.4202 |
Chemical Identifiers
| CAS Number | 6997-58-6 |
|---|---|
| SMILES | CC1=C(C(N2C(=O)C(=CC3=CC(=C(C=C3)OC(=O)C)OC)SC2=N1)C4=CC=C(C=C4)SC)C(=O)OC |
Product Overview
Methyl 2-{[4-(acetyloxy)-3-methoxyphenyl]methylidene}-7-methyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CAS 6997-58-6), with molecular formula C26H24N2O6S2 and molecular weight 524.11 g/mol. IUPAC: methyl 2-[(4-acetyloxy-3-methoxyphenyl)methylidene]-7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of Methyl 2-{[4-(acetyloxy)-3-methoxyphenyl]methylidene}-7-methyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Property Insights of Methyl 2-{[4-(acetyloxy)-3-methoxyphenyl]methylidene}-7-methyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
The XLogP value of 3.064 indicates that Methyl 2-{[4-(acetyloxy)-3-methoxyphenyl]methylidene}-7-methyl-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 96.19 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-{[4-(acetyloxy)-3-methoxyphenyl]methylidene}-7-methyl-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, Methyl 2-{[4-(acetyloxy)-3-methoxyphenyl]methylidene}-7-methyl-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 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 2-{[4-(acetyloxy)-3-methoxyphenyl]methylidene}-7-methyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The CAS number of Methyl 2-{[4-(acetyloxy)-3-methoxyphenyl]methylidene}-7-methyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is 6997-58-6.
What is the molecular formula of Methyl 2-{[4-(acetyloxy)-3-methoxyphenyl]methylidene}-7-methyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The molecular formula of Methyl 2-{[4-(acetyloxy)-3-methoxyphenyl]methylidene}-7-methyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is C26H24N2O6S2.
What is the molecular weight of Methyl 2-{[4-(acetyloxy)-3-methoxyphenyl]methylidene}-7-methyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The molecular weight of Methyl 2-{[4-(acetyloxy)-3-methoxyphenyl]methylidene}-7-methyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is 524.11 g/mol.
Where can I buy Methyl 2-{[4-(acetyloxy)-3-methoxyphenyl]methylidene}-7-methyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
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Does KEHONG BIO offer custom synthesis for Methyl 2-{[4-(acetyloxy)-3-methoxyphenyl]methylidene}-7-methyl-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 Methyl 2-{[4-(acetyloxy)-3-methoxyphenyl]methylidene}-7-methyl-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.