![(E)-methyl 5-(4-(tert-butyl)phenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylene)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate acetate structure](/static/products/473/473567-30-5.png)
(E)-methyl 5-(4-(tert-butyl)phenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylene)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate acetate
TL;DR: (E)-methyl 5-(4-(tert-butyl)phenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylene)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate acetate (CAS 473567-30-5) is a chemical compound with molecular formula C26H28N2O5S2 and molecular weight 512.14 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)-7-methyl-3-oxo-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: (E)-methyl 5-(4-(tert-butyl)phenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylene)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate acetate, acetic acid; methyl (2E)-5-(4-tert-butylphenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, acetic acid; methyl 5-(4-tert-butylphenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylidene)-2H,3H,5H-pyrimido[2,1-b][1,3]thiazole-6-carboxylate, METHYL (2E)-5-(4-TERT-BUTYLPHENYL)-7-METHYL-3-OXO-2-(2-THIENYLMETHYLENE)-2,3-DIHYDRO-5H-[1,3]THIAZOLO[3,2-A]PYRIMIDINE-6-CARBOXYLATE ACETATE
| Molecular Formula | C26H28N2O5S2 |
|---|---|
| Molecular Weight | 512.14 g/mol |
| LogP | 3.8581 |
| Topological Polar Surface Area | 97.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 512.144 |
| Heavy Atoms | 35 |
| Complexity | 1433.1156 |
Chemical Identifiers
| CAS Number | 473567-30-5 |
|---|---|
| SMILES | CC1=C(C(N2C(=O)/C(=C\C3=CC=CS3)/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)-7-methyl-3-oxo-2-(thiophen-2-ylmethylene)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate acetate (CAS 473567-30-5), with molecular formula C26H28N2O5S2 and molecular weight 512.14 g/mol. IUPAC: acetic acid;methyl (2E)-5-(4-tert-butylphenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of (E)-methyl 5-(4-(tert-butyl)phenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylene)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate acetate
Property Insights of (E)-methyl 5-(4-(tert-butyl)phenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylene)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate acetate
The XLogP value of 3.8581 indicates that (E)-methyl 5-(4-(tert-butyl)phenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylene)-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 97.96 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-methyl 5-(4-(tert-butyl)phenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylene)-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)-7-methyl-3-oxo-2-(thiophen-2-ylmethylene)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate acetate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-methyl 5-(4-(tert-butyl)phenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylene)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate acetate?
The CAS number of (E)-methyl 5-(4-(tert-butyl)phenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylene)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate acetate is 473567-30-5.
What is the molecular formula of (E)-methyl 5-(4-(tert-butyl)phenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylene)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate acetate?
The molecular formula of (E)-methyl 5-(4-(tert-butyl)phenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylene)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate acetate is C26H28N2O5S2.
What is the molecular weight of (E)-methyl 5-(4-(tert-butyl)phenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylene)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate acetate?
The molecular weight of (E)-methyl 5-(4-(tert-butyl)phenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylene)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate acetate is 512.14 g/mol.
Where can I buy (E)-methyl 5-(4-(tert-butyl)phenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylene)-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)-7-methyl-3-oxo-2-(thiophen-2-ylmethylene)-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)-7-methyl-3-oxo-2-(thiophen-2-ylmethylene)-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)-7-methyl-3-oxo-2-(thiophen-2-ylmethylene)-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.