![methyl (2Z)-2-[2,4-bis(acetyloxy)benzylidene]-5-(4-chlorophenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate structure](/static/products/374/374095-50-8.png)
methyl (2Z)-2-[2,4-bis(acetyloxy)benzylidene]-5-(4-chlorophenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
TL;DR: methyl (2Z)-2-[2,4-bis(acetyloxy)benzylidene]-5-(4-chlorophenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CAS 374095-50-8) is a chemical compound with molecular formula C26H21ClN2O7S and molecular weight 540.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2Z)-5-(4-chlorophenyl)-2-[(2,4-diacetyloxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: methyl (2Z)-2-[2,4-bis(acetyloxy)benzylidene]-5-(4-chlorophenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, (Z)-4-((5-(4-chlorophenyl)-6-(methoxycarbonyl)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-2-ylidene)methyl)-1,3-phenylene diacetate, methyl (2Z)-5-(4-chlorophenyl)-2-[(2,4-diacetyloxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C26H21ClN2O7S |
|---|---|
| Molecular Weight | 540.08 g/mol |
| LogP | 2.9122 |
| Topological Polar Surface Area | 113.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 540.0758 |
| Heavy Atoms | 37 |
| Complexity | 1634.4208 |
Chemical Identifiers
| CAS Number | 374095-50-8 |
|---|---|
| SMILES | CC1=C(C(N2C(=O)/C(=C/C3=C(C=C(C=C3)OC(=O)C)OC(=O)C)/SC2=N1)C4=CC=C(C=C4)Cl)C(=O)OC |
Product Overview
methyl (2Z)-2-[2,4-bis(acetyloxy)benzylidene]-5-(4-chlorophenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CAS 374095-50-8), with molecular formula C26H21ClN2O7S and molecular weight 540.08 g/mol. IUPAC: methyl (2Z)-5-(4-chlorophenyl)-2-[(2,4-diacetyloxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of methyl (2Z)-2-[2,4-bis(acetyloxy)benzylidene]-5-(4-chlorophenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Property Insights of methyl (2Z)-2-[2,4-bis(acetyloxy)benzylidene]-5-(4-chlorophenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
The XLogP value of 2.9122 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (2Z)-2-[2,4-bis(acetyloxy)benzylidene]-5-(4-chlorophenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate. The TPSA of 113.26 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl (2Z)-2-[2,4-bis(acetyloxy)benzylidene]-5-(4-chlorophenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate. Following Lipinski's Rule of Five, methyl (2Z)-2-[2,4-bis(acetyloxy)benzylidene]-5-(4-chlorophenyl)-7-methyl-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 (2Z)-2-[2,4-bis(acetyloxy)benzylidene]-5-(4-chlorophenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The CAS number of methyl (2Z)-2-[2,4-bis(acetyloxy)benzylidene]-5-(4-chlorophenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is 374095-50-8.
What is the molecular formula of methyl (2Z)-2-[2,4-bis(acetyloxy)benzylidene]-5-(4-chlorophenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The molecular formula of methyl (2Z)-2-[2,4-bis(acetyloxy)benzylidene]-5-(4-chlorophenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is C26H21ClN2O7S.
What is the molecular weight of methyl (2Z)-2-[2,4-bis(acetyloxy)benzylidene]-5-(4-chlorophenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The molecular weight of methyl (2Z)-2-[2,4-bis(acetyloxy)benzylidene]-5-(4-chlorophenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is 540.08 g/mol.
Where can I buy methyl (2Z)-2-[2,4-bis(acetyloxy)benzylidene]-5-(4-chlorophenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
You can request a quote for methyl (2Z)-2-[2,4-bis(acetyloxy)benzylidene]-5-(4-chlorophenyl)-7-methyl-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 methyl (2Z)-2-[2,4-bis(acetyloxy)benzylidene]-5-(4-chlorophenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl (2Z)-2-[2,4-bis(acetyloxy)benzylidene]-5-(4-chlorophenyl)-7-methyl-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.