![(E)-methyl 2-((5-(2-chlorophenyl)furan-2-yl)methylene)-5-(4-isopropylphenyl)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate acetate structure](/static/products/473/473567-06-5.png)
(E)-methyl 2-((5-(2-chlorophenyl)furan-2-yl)methylene)-5-(4-isopropylphenyl)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate acetate
TL;DR: (E)-methyl 2-((5-(2-chlorophenyl)furan-2-yl)methylene)-5-(4-isopropylphenyl)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate acetate (CAS 473567-06-5) is a chemical compound with molecular formula C31H29ClN2O6S and molecular weight 592.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
acetic acid;methyl (2E)-2-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-7-methyl-3-oxo-5-(4-propan-2-ylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: (E)-methyl 2-((5-(2-chlorophenyl)furan-2-yl)methylene)-5-(4-isopropylphenyl)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate acetate, acetic acid; methyl (2E)-2-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-7-methyl-3-oxo-5-(4-propan-2-ylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, METHYL (2E)-2-{[5-(2-CHLOROPHENYL)-2-FURYL]METHYLENE}-5-(4-ISOPROPYLPHENYL)-7-METHYL-3-OXO-2,3-DIHYDRO-5H-[1,3]THIAZOLO[3,2-A]PYRIMIDINE-6-CARBOXYLATE ACETATE
| Molecular Formula | C31H29ClN2O6S |
|---|---|
| Molecular Weight | 592.14 g/mol |
| LogP | 5.5359 |
| Topological Polar Surface Area | 111.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 592.1435 |
| Heavy Atoms | 41 |
| Complexity | 1807.7272 |
Chemical Identifiers
| CAS Number | 473567-06-5 |
|---|---|
| SMILES | CC1=C(C(N2C(=O)/C(=C\C3=CC=C(O3)C4=CC=CC=C4Cl)/SC2=N1)C5=CC=C(C=C5)C(C)C)C(=O)OC.CC(=O)O |
Product Overview
(E)-methyl 2-((5-(2-chlorophenyl)furan-2-yl)methylene)-5-(4-isopropylphenyl)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate acetate (CAS 473567-06-5), with molecular formula C31H29ClN2O6S and molecular weight 592.14 g/mol. IUPAC: acetic acid;methyl (2E)-2-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-7-methyl-3-oxo-5-(4-propan-2-ylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of (E)-methyl 2-((5-(2-chlorophenyl)furan-2-yl)methylene)-5-(4-isopropylphenyl)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate acetate
Property Insights of (E)-methyl 2-((5-(2-chlorophenyl)furan-2-yl)methylene)-5-(4-isopropylphenyl)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate acetate
The XLogP value of 5.5359 indicates that (E)-methyl 2-((5-(2-chlorophenyl)furan-2-yl)methylene)-5-(4-isopropylphenyl)-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 2-((5-(2-chlorophenyl)furan-2-yl)methylene)-5-(4-isopropylphenyl)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate acetate. Following Lipinski's Rule of Five, (E)-methyl 2-((5-(2-chlorophenyl)furan-2-yl)methylene)-5-(4-isopropylphenyl)-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), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-methyl 2-((5-(2-chlorophenyl)furan-2-yl)methylene)-5-(4-isopropylphenyl)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate acetate?
The CAS number of (E)-methyl 2-((5-(2-chlorophenyl)furan-2-yl)methylene)-5-(4-isopropylphenyl)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate acetate is 473567-06-5.
What is the molecular formula of (E)-methyl 2-((5-(2-chlorophenyl)furan-2-yl)methylene)-5-(4-isopropylphenyl)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate acetate?
The molecular formula of (E)-methyl 2-((5-(2-chlorophenyl)furan-2-yl)methylene)-5-(4-isopropylphenyl)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate acetate is C31H29ClN2O6S.
What is the molecular weight of (E)-methyl 2-((5-(2-chlorophenyl)furan-2-yl)methylene)-5-(4-isopropylphenyl)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate acetate?
The molecular weight of (E)-methyl 2-((5-(2-chlorophenyl)furan-2-yl)methylene)-5-(4-isopropylphenyl)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate acetate is 592.14 g/mol.
Where can I buy (E)-methyl 2-((5-(2-chlorophenyl)furan-2-yl)methylene)-5-(4-isopropylphenyl)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate acetate?
You can request a quote for (E)-methyl 2-((5-(2-chlorophenyl)furan-2-yl)methylene)-5-(4-isopropylphenyl)-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 2-((5-(2-chlorophenyl)furan-2-yl)methylene)-5-(4-isopropylphenyl)-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 2-((5-(2-chlorophenyl)furan-2-yl)methylene)-5-(4-isopropylphenyl)-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.