![methyl (2Z)-5-[4-(methoxycarbonyl)phenyl]-7-methyl-2-[(naphthalen-1-yl)methylidene]-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate structure](/static/products/6097/609795-01-9.webp)
methyl (2Z)-5-[4-(methoxycarbonyl)phenyl]-7-methyl-2-[(naphthalen-1-yl)methylidene]-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
TL;DR: methyl (2Z)-5-[4-(methoxycarbonyl)phenyl]-7-methyl-2-[(naphthalen-1-yl)methylidene]-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CAS 609795-01-9) is a chemical compound with molecular formula C28H22N2O5S and molecular weight 498.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-(4-methoxycarbonylphenyl)-7-methyl-2-(naphthalen-1-ylmethylidene)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: methyl (2Z)-5-[4-(methoxycarbonyl)phenyl]-7-methyl-2-[(naphthalen-1-yl)methylidene]-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, Methyl 5-(4-(methoxycarbonyl)phenyl)-7-methyl-2-(naphthalen-1-ylmethylene)-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate, methyl 5-(4-methoxycarbonylphenyl)-7-methyl-2-(naphthalen-1-ylmethylidene)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C28H22N2O5S |
|---|---|
| Molecular Weight | 498.12 g/mol |
| LogP | 3.348 |
| Topological Polar Surface Area | 86.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 498.12494 |
| Heavy Atoms | 36 |
| Complexity | 1723.072 |
Chemical Identifiers
| CAS Number | 609795-01-9 |
|---|---|
| SMILES | CC1=C(C(N2C(=O)C(=CC3=CC=CC4=CC=CC=C43)SC2=N1)C5=CC=C(C=C5)C(=O)OC)C(=O)OC |
Product Overview
methyl (2Z)-5-[4-(methoxycarbonyl)phenyl]-7-methyl-2-[(naphthalen-1-yl)methylidene]-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CAS 609795-01-9), with molecular formula C28H22N2O5S and molecular weight 498.12 g/mol. IUPAC: methyl 5-(4-methoxycarbonylphenyl)-7-methyl-2-(naphthalen-1-ylmethylidene)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of methyl (2Z)-5-[4-(methoxycarbonyl)phenyl]-7-methyl-2-[(naphthalen-1-yl)methylidene]-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Property Insights of methyl (2Z)-5-[4-(methoxycarbonyl)phenyl]-7-methyl-2-[(naphthalen-1-yl)methylidene]-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
The XLogP value of 3.348 indicates that methyl (2Z)-5-[4-(methoxycarbonyl)phenyl]-7-methyl-2-[(naphthalen-1-yl)methylidene]-3-oxo-2H,3H,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 86.96 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl (2Z)-5-[4-(methoxycarbonyl)phenyl]-7-methyl-2-[(naphthalen-1-yl)methylidene]-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate. Following Lipinski's Rule of Five, methyl (2Z)-5-[4-(methoxycarbonyl)phenyl]-7-methyl-2-[(naphthalen-1-yl)methylidene]-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 (2Z)-5-[4-(methoxycarbonyl)phenyl]-7-methyl-2-[(naphthalen-1-yl)methylidene]-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The CAS number of methyl (2Z)-5-[4-(methoxycarbonyl)phenyl]-7-methyl-2-[(naphthalen-1-yl)methylidene]-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is 609795-01-9.
What is the molecular formula of methyl (2Z)-5-[4-(methoxycarbonyl)phenyl]-7-methyl-2-[(naphthalen-1-yl)methylidene]-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The molecular formula of methyl (2Z)-5-[4-(methoxycarbonyl)phenyl]-7-methyl-2-[(naphthalen-1-yl)methylidene]-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is C28H22N2O5S.
What is the molecular weight of methyl (2Z)-5-[4-(methoxycarbonyl)phenyl]-7-methyl-2-[(naphthalen-1-yl)methylidene]-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The molecular weight of methyl (2Z)-5-[4-(methoxycarbonyl)phenyl]-7-methyl-2-[(naphthalen-1-yl)methylidene]-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is 498.12 g/mol.
Where can I buy methyl (2Z)-5-[4-(methoxycarbonyl)phenyl]-7-methyl-2-[(naphthalen-1-yl)methylidene]-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
You can request a quote for methyl (2Z)-5-[4-(methoxycarbonyl)phenyl]-7-methyl-2-[(naphthalen-1-yl)methylidene]-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 (2Z)-5-[4-(methoxycarbonyl)phenyl]-7-methyl-2-[(naphthalen-1-yl)methylidene]-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl (2Z)-5-[4-(methoxycarbonyl)phenyl]-7-methyl-2-[(naphthalen-1-yl)methylidene]-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.