![ethyl 2-{4-methoxy-3-[(2,3,5,6-tetrafluorophenoxy)methyl]benzylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate structure](/static/products/445/445036-01-1.png)
ethyl 2-{4-methoxy-3-[(2,3,5,6-tetrafluorophenoxy)methyl]benzylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
TL;DR: ethyl 2-{4-methoxy-3-[(2,3,5,6-tetrafluorophenoxy)methyl]benzylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CAS 445036-01-1) is a chemical compound with molecular formula C31H24F4N2O5S and molecular weight 612.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2Z)-2-[[4-methoxy-3-[(2,3,5,6-tetrafluorophenoxy)methyl]phenyl]methylidene]-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: ethyl 2-{4-methoxy-3-[(2,3,5,6-tetrafluorophenoxy)methyl]benzylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl (2Z)-2-[[4-methoxy-3-[(2,3,5,6-tetrafluorophenoxy)methyl]phenyl]methylidene]-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl (2Z)-2-{4-methoxy-3-[(2,3,5,6-tetrafluorophenoxy)methyl]benzylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ETHYL 2-((Z)-1-{4-METHOXY-3-[(2,3,5,6-TETRAFLUOROPHENOXY)METHYL]PHENYL}METHYLIDENE)-7-METHYL-3-OXO-5-PHENYL-5H-[1,3]THIAZOLO[3,2-A]PYRIMIDINE-6(3H)-CARBOXYLATE
| Molecular Formula | C31H24F4N2O5S |
|---|---|
| Molecular Weight | 612.13 g/mol |
| LogP | 4.9423 |
| Topological Polar Surface Area | 79.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 612.1342 |
| Heavy Atoms | 43 |
| Complexity | 1909.8522 |
Chemical Identifiers
| CAS Number | 445036-01-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3)C(=O)/C(=C/C4=CC(=C(C=C4)OC)COC5=C(C(=CC(=C5F)F)F)F)/S2)C |
Product Overview
ethyl 2-{4-methoxy-3-[(2,3,5,6-tetrafluorophenoxy)methyl]benzylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CAS 445036-01-1), with molecular formula C31H24F4N2O5S and molecular weight 612.13 g/mol. IUPAC: ethyl (2Z)-2-[[4-methoxy-3-[(2,3,5,6-tetrafluorophenoxy)methyl]phenyl]methylidene]-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of ethyl 2-{4-methoxy-3-[(2,3,5,6-tetrafluorophenoxy)methyl]benzylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Property Insights of ethyl 2-{4-methoxy-3-[(2,3,5,6-tetrafluorophenoxy)methyl]benzylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
The XLogP value of 4.9423 indicates that ethyl 2-{4-methoxy-3-[(2,3,5,6-tetrafluorophenoxy)methyl]benzylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.12 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-{4-methoxy-3-[(2,3,5,6-tetrafluorophenoxy)methyl]benzylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate. Following Lipinski's Rule of Five, ethyl 2-{4-methoxy-3-[(2,3,5,6-tetrafluorophenoxy)methyl]benzylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has 0 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 ethyl 2-{4-methoxy-3-[(2,3,5,6-tetrafluorophenoxy)methyl]benzylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The CAS number of ethyl 2-{4-methoxy-3-[(2,3,5,6-tetrafluorophenoxy)methyl]benzylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is 445036-01-1.
What is the molecular formula of ethyl 2-{4-methoxy-3-[(2,3,5,6-tetrafluorophenoxy)methyl]benzylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The molecular formula of ethyl 2-{4-methoxy-3-[(2,3,5,6-tetrafluorophenoxy)methyl]benzylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is C31H24F4N2O5S.
What is the molecular weight of ethyl 2-{4-methoxy-3-[(2,3,5,6-tetrafluorophenoxy)methyl]benzylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The molecular weight of ethyl 2-{4-methoxy-3-[(2,3,5,6-tetrafluorophenoxy)methyl]benzylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is 612.13 g/mol.
Where can I buy ethyl 2-{4-methoxy-3-[(2,3,5,6-tetrafluorophenoxy)methyl]benzylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
You can request a quote for ethyl 2-{4-methoxy-3-[(2,3,5,6-tetrafluorophenoxy)methyl]benzylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-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 ethyl 2-{4-methoxy-3-[(2,3,5,6-tetrafluorophenoxy)methyl]benzylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-{4-methoxy-3-[(2,3,5,6-tetrafluorophenoxy)methyl]benzylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.