![methyl (2E)-5-[4-(dimethylamino)phenyl]-2-[(furan-3-yl)methylidene]-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate structure](/static/products/445/445025-80-9.png)
methyl (2E)-5-[4-(dimethylamino)phenyl]-2-[(furan-3-yl)methylidene]-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
TL;DR: methyl (2E)-5-[4-(dimethylamino)phenyl]-2-[(furan-3-yl)methylidene]-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CAS 445025-80-9) is a chemical compound with molecular formula C22H21N3O4S and molecular weight 423.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2Z)-5-[4-(dimethylamino)phenyl]-2-(furan-3-ylmethylidene)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: methyl (2E)-5-[4-(dimethylamino)phenyl]-2-[(furan-3-yl)methylidene]-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, methyl (2Z)-5-(4-dimethylaminophenyl)-2-(furan-3-ylmethylidene)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, methyl 5-[4-(dimethylamino)phenyl]-2-(3-furylmethylene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, METHYL 5-[4-(DIMETHYLAMINO)PHENYL]-2-[(Z)-1-(3-FURYL)METHYLIDENE]-7-METHYL-3-OXO-5H-[1,3]THIAZOLO[3,2-A]PYRIMIDINE-6(3H)-CARBOXYLATE
| Molecular Formula | C22H21N3O4S |
|---|---|
| Molecular Weight | 423.13 g/mol |
| LogP | 2.0672 |
| Topological Polar Surface Area | 77.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 423.12527 |
| Heavy Atoms | 30 |
| Complexity | 1295.8375 |
Chemical Identifiers
| CAS Number | 445025-80-9 |
|---|---|
| SMILES | CC1=C(C(N2C(=O)/C(=C/C3=COC=C3)/SC2=N1)C4=CC=C(C=C4)N(C)C)C(=O)OC |
Product Overview
methyl (2E)-5-[4-(dimethylamino)phenyl]-2-[(furan-3-yl)methylidene]-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CAS 445025-80-9), with molecular formula C22H21N3O4S and molecular weight 423.13 g/mol. IUPAC: methyl (2Z)-5-[4-(dimethylamino)phenyl]-2-(furan-3-ylmethylidene)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of methyl (2E)-5-[4-(dimethylamino)phenyl]-2-[(furan-3-yl)methylidene]-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Property Insights of methyl (2E)-5-[4-(dimethylamino)phenyl]-2-[(furan-3-yl)methylidene]-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
The XLogP value of 2.0672 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (2E)-5-[4-(dimethylamino)phenyl]-2-[(furan-3-yl)methylidene]-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate. The TPSA of 77.04 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl (2E)-5-[4-(dimethylamino)phenyl]-2-[(furan-3-yl)methylidene]-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate. Following Lipinski's Rule of Five, methyl (2E)-5-[4-(dimethylamino)phenyl]-2-[(furan-3-yl)methylidene]-7-methyl-3-oxo-2H,3H,5H-[1,3]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 methyl (2E)-5-[4-(dimethylamino)phenyl]-2-[(furan-3-yl)methylidene]-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The CAS number of methyl (2E)-5-[4-(dimethylamino)phenyl]-2-[(furan-3-yl)methylidene]-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is 445025-80-9.
What is the molecular formula of methyl (2E)-5-[4-(dimethylamino)phenyl]-2-[(furan-3-yl)methylidene]-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The molecular formula of methyl (2E)-5-[4-(dimethylamino)phenyl]-2-[(furan-3-yl)methylidene]-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is C22H21N3O4S.
What is the molecular weight of methyl (2E)-5-[4-(dimethylamino)phenyl]-2-[(furan-3-yl)methylidene]-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The molecular weight of methyl (2E)-5-[4-(dimethylamino)phenyl]-2-[(furan-3-yl)methylidene]-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is 423.13 g/mol.
Where can I buy methyl (2E)-5-[4-(dimethylamino)phenyl]-2-[(furan-3-yl)methylidene]-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
You can request a quote for methyl (2E)-5-[4-(dimethylamino)phenyl]-2-[(furan-3-yl)methylidene]-7-methyl-3-oxo-2H,3H,5H-[1,3]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 methyl (2E)-5-[4-(dimethylamino)phenyl]-2-[(furan-3-yl)methylidene]-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl (2E)-5-[4-(dimethylamino)phenyl]-2-[(furan-3-yl)methylidene]-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.