![(E)-methyl 5-(4-(tert-butyl)phenyl)-2-(furan-2-ylmethylene)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate acetate structure](/static/products/473/473567-22-5.png)
(E)-methyl 5-(4-(tert-butyl)phenyl)-2-(furan-2-ylmethylene)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate acetate
TL;DR: (E)-methyl 5-(4-(tert-butyl)phenyl)-2-(furan-2-ylmethylene)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate acetate (CAS 473567-22-5) is a chemical compound with molecular formula C26H28N2O6S and molecular weight 496.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
acetic acid;methyl (2E)-5-(4-tert-butylphenyl)-2-(furan-2-ylmethylidene)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: (E)-methyl 5-(4-(tert-butyl)phenyl)-2-(furan-2-ylmethylene)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate acetate, acetic acid; methyl (2E)-5-(4-tert-butylphenyl)-2-(furan-2-ylmethylidene)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C26H28N2O6S |
|---|---|
| Molecular Weight | 496.17 g/mol |
| LogP | 3.3896 |
| Topological Polar Surface Area | 111.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 496.1668 |
| Heavy Atoms | 35 |
| Complexity | 1431.2155 |
Chemical Identifiers
| CAS Number | 473567-22-5 |
|---|---|
| SMILES | CC1=C(C(N2C(=O)/C(=C\C3=CC=CO3)/SC2=N1)C4=CC=C(C=C4)C(C)(C)C)C(=O)OC.CC(=O)O |
Product Overview
(E)-methyl 5-(4-(tert-butyl)phenyl)-2-(furan-2-ylmethylene)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate acetate (CAS 473567-22-5), with molecular formula C26H28N2O6S and molecular weight 496.17 g/mol. IUPAC: acetic acid;methyl (2E)-5-(4-tert-butylphenyl)-2-(furan-2-ylmethylidene)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of (E)-methyl 5-(4-(tert-butyl)phenyl)-2-(furan-2-ylmethylene)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate acetate
Property Insights of (E)-methyl 5-(4-(tert-butyl)phenyl)-2-(furan-2-ylmethylene)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate acetate
The XLogP value of 3.3896 indicates that (E)-methyl 5-(4-(tert-butyl)phenyl)-2-(furan-2-ylmethylene)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-methyl 5-(4-(tert-butyl)phenyl)-2-(furan-2-ylmethylene)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate acetate. Following Lipinski's Rule of Five, (E)-methyl 5-(4-(tert-butyl)phenyl)-2-(furan-2-ylmethylene)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate acetate has 1 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)-methyl 5-(4-(tert-butyl)phenyl)-2-(furan-2-ylmethylene)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate acetate?
The CAS number of (E)-methyl 5-(4-(tert-butyl)phenyl)-2-(furan-2-ylmethylene)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate acetate is 473567-22-5.
What is the molecular formula of (E)-methyl 5-(4-(tert-butyl)phenyl)-2-(furan-2-ylmethylene)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate acetate?
The molecular formula of (E)-methyl 5-(4-(tert-butyl)phenyl)-2-(furan-2-ylmethylene)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate acetate is C26H28N2O6S.
What is the molecular weight of (E)-methyl 5-(4-(tert-butyl)phenyl)-2-(furan-2-ylmethylene)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate acetate?
The molecular weight of (E)-methyl 5-(4-(tert-butyl)phenyl)-2-(furan-2-ylmethylene)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate acetate is 496.17 g/mol.
Where can I buy (E)-methyl 5-(4-(tert-butyl)phenyl)-2-(furan-2-ylmethylene)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate acetate?
You can request a quote for (E)-methyl 5-(4-(tert-butyl)phenyl)-2-(furan-2-ylmethylene)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-methyl 5-(4-(tert-butyl)phenyl)-2-(furan-2-ylmethylene)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate acetate?
Yes, KEHONG BIO provides custom synthesis services for (E)-methyl 5-(4-(tert-butyl)phenyl)-2-(furan-2-ylmethylene)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.