![(E)-ethyl 7-methyl-5-(3-nitrophenyl)-3-oxo-2-((E)-3-phenylallylidene)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate structure](/static/products/324/324070-72-6.png)
(E)-ethyl 7-methyl-5-(3-nitrophenyl)-3-oxo-2-((E)-3-phenylallylidene)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate
TL;DR: (E)-ethyl 7-methyl-5-(3-nitrophenyl)-3-oxo-2-((E)-3-phenylallylidene)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate (CAS 324070-72-6) is a chemical compound with molecular formula C25H21N3O5S and molecular weight 475.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2E)-7-methyl-5-(3-nitrophenyl)-3-oxo-2-[(E)-3-phenylprop-2-enylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: (E)-ethyl 7-methyl-5-(3-nitrophenyl)-3-oxo-2-((E)-3-phenylallylidene)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl (2E)-7-methyl-5-(3-nitrophenyl)-3-oxo-2-[(2E)-3-phenyl-2-propenylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl (2E)-7-methyl-5-(3-nitrophenyl)-3-oxo-2-[(2E)-3-phenylprop-2-en-1-ylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl (2E)-7-methyl-5-(3-nitrophenyl)-3-oxo-2-[(E)-3-phenylprop-2-enylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C25H21N3O5S |
|---|---|
| Molecular Weight | 475.12 g/mol |
| LogP | 3.3716 |
| Topological Polar Surface Area | 103.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 475.12018 |
| Heavy Atoms | 34 |
| Complexity | 1499.2335 |
Chemical Identifiers
| CAS Number | 324070-72-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2N(C1C3=CC(=CC=C3)[N+](=O)[O-])C(=O)/C(=C\C=C\C4=CC=CC=C4)/S2)C |
Product Overview
(E)-ethyl 7-methyl-5-(3-nitrophenyl)-3-oxo-2-((E)-3-phenylallylidene)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate (CAS 324070-72-6), with molecular formula C25H21N3O5S and molecular weight 475.12 g/mol. IUPAC: ethyl (2E)-7-methyl-5-(3-nitrophenyl)-3-oxo-2-[(E)-3-phenylprop-2-enylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of (E)-ethyl 7-methyl-5-(3-nitrophenyl)-3-oxo-2-((E)-3-phenylallylidene)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate
Property Insights of (E)-ethyl 7-methyl-5-(3-nitrophenyl)-3-oxo-2-((E)-3-phenylallylidene)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate
The XLogP value of 3.3716 indicates that (E)-ethyl 7-methyl-5-(3-nitrophenyl)-3-oxo-2-((E)-3-phenylallylidene)-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 (E)-ethyl 7-methyl-5-(3-nitrophenyl)-3-oxo-2-((E)-3-phenylallylidene)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate. Following Lipinski's Rule of Five, (E)-ethyl 7-methyl-5-(3-nitrophenyl)-3-oxo-2-((E)-3-phenylallylidene)-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 (E)-ethyl 7-methyl-5-(3-nitrophenyl)-3-oxo-2-((E)-3-phenylallylidene)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate?
The CAS number of (E)-ethyl 7-methyl-5-(3-nitrophenyl)-3-oxo-2-((E)-3-phenylallylidene)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate is 324070-72-6.
What is the molecular formula of (E)-ethyl 7-methyl-5-(3-nitrophenyl)-3-oxo-2-((E)-3-phenylallylidene)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate?
The molecular formula of (E)-ethyl 7-methyl-5-(3-nitrophenyl)-3-oxo-2-((E)-3-phenylallylidene)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate is C25H21N3O5S.
What is the molecular weight of (E)-ethyl 7-methyl-5-(3-nitrophenyl)-3-oxo-2-((E)-3-phenylallylidene)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate?
The molecular weight of (E)-ethyl 7-methyl-5-(3-nitrophenyl)-3-oxo-2-((E)-3-phenylallylidene)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate is 475.12 g/mol.
Where can I buy (E)-ethyl 7-methyl-5-(3-nitrophenyl)-3-oxo-2-((E)-3-phenylallylidene)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate?
You can request a quote for (E)-ethyl 7-methyl-5-(3-nitrophenyl)-3-oxo-2-((E)-3-phenylallylidene)-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 (E)-ethyl 7-methyl-5-(3-nitrophenyl)-3-oxo-2-((E)-3-phenylallylidene)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (E)-ethyl 7-methyl-5-(3-nitrophenyl)-3-oxo-2-((E)-3-phenylallylidene)-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.