![(Z)-methyl 5-(4-(tert-butyl)phenyl)-7-methyl-2-(3-nitrobenzylidene)-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate structure](/static/products/488/488734-31-2.png)
(Z)-methyl 5-(4-(tert-butyl)phenyl)-7-methyl-2-(3-nitrobenzylidene)-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate
TL;DR: (Z)-methyl 5-(4-(tert-butyl)phenyl)-7-methyl-2-(3-nitrobenzylidene)-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate (CAS 488734-31-2) is a chemical compound with molecular formula C26H25N3O5S and molecular weight 491.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2Z)-5-(4-tert-butylphenyl)-7-methyl-2-[(3-nitrophenyl)methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: (Z)-methyl 5-(4-(tert-butyl)phenyl)-7-methyl-2-(3-nitrobenzylidene)-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate, methyl (2Z)-5-(4-tert-butylphenyl)-7-methyl-2-(3-nitrobenzylidene)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, methyl (2Z)-5-(4-tert-butylphenyl)-7-methyl-2-[(3-nitrophenyl)methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, methyl 5-[4-(tert-butyl)phenyl]-7-methyl-2-[(3-nitrophenyl)methylene]-3-oxo-4, 5-dihydro-1,3-thiazolidino[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C26H25N3O5S |
|---|---|
| Molecular Weight | 491.15 g/mol |
| LogP | 3.6139 |
| Topological Polar Surface Area | 103.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 491.1515 |
| Heavy Atoms | 35 |
| Complexity | 1539.2181 |
Chemical Identifiers
| CAS Number | 488734-31-2 |
|---|---|
| SMILES | CC1=C(C(N2C(=O)/C(=C/C3=CC(=CC=C3)[N+](=O)[O-])/SC2=N1)C4=CC=C(C=C4)C(C)(C)C)C(=O)OC |
Product Overview
(Z)-methyl 5-(4-(tert-butyl)phenyl)-7-methyl-2-(3-nitrobenzylidene)-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate (CAS 488734-31-2), with molecular formula C26H25N3O5S and molecular weight 491.15 g/mol. IUPAC: methyl (2Z)-5-(4-tert-butylphenyl)-7-methyl-2-[(3-nitrophenyl)methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of (Z)-methyl 5-(4-(tert-butyl)phenyl)-7-methyl-2-(3-nitrobenzylidene)-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate
Property Insights of (Z)-methyl 5-(4-(tert-butyl)phenyl)-7-methyl-2-(3-nitrobenzylidene)-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate
The XLogP value of 3.6139 indicates that (Z)-methyl 5-(4-(tert-butyl)phenyl)-7-methyl-2-(3-nitrobenzylidene)-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-methyl 5-(4-(tert-butyl)phenyl)-7-methyl-2-(3-nitrobenzylidene)-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate. Following Lipinski's Rule of Five, (Z)-methyl 5-(4-(tert-butyl)phenyl)-7-methyl-2-(3-nitrobenzylidene)-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (Z)-methyl 5-(4-(tert-butyl)phenyl)-7-methyl-2-(3-nitrobenzylidene)-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate?
The CAS number of (Z)-methyl 5-(4-(tert-butyl)phenyl)-7-methyl-2-(3-nitrobenzylidene)-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate is 488734-31-2.
What is the molecular formula of (Z)-methyl 5-(4-(tert-butyl)phenyl)-7-methyl-2-(3-nitrobenzylidene)-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate?
The molecular formula of (Z)-methyl 5-(4-(tert-butyl)phenyl)-7-methyl-2-(3-nitrobenzylidene)-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate is C26H25N3O5S.
What is the molecular weight of (Z)-methyl 5-(4-(tert-butyl)phenyl)-7-methyl-2-(3-nitrobenzylidene)-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate?
The molecular weight of (Z)-methyl 5-(4-(tert-butyl)phenyl)-7-methyl-2-(3-nitrobenzylidene)-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate is 491.15 g/mol.
Where can I buy (Z)-methyl 5-(4-(tert-butyl)phenyl)-7-methyl-2-(3-nitrobenzylidene)-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate?
You can request a quote for (Z)-methyl 5-(4-(tert-butyl)phenyl)-7-methyl-2-(3-nitrobenzylidene)-3-oxo-3,5-dihydro-2H-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 (Z)-methyl 5-(4-(tert-butyl)phenyl)-7-methyl-2-(3-nitrobenzylidene)-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-methyl 5-(4-(tert-butyl)phenyl)-7-methyl-2-(3-nitrobenzylidene)-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.