![methyl (2E)-2-[(1,5-dimethyl-1H-pyrazol-4-yl)methylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate structure](/static/products/492/492425-87-3.png)
methyl (2E)-2-[(1,5-dimethyl-1H-pyrazol-4-yl)methylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
TL;DR: methyl (2E)-2-[(1,5-dimethyl-1H-pyrazol-4-yl)methylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CAS 492425-87-3) is a chemical compound with molecular formula C22H22N4O4S and molecular weight 438.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2Z)-2-[(1,5-dimethylpyrazol-4-yl)methylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: methyl (2E)-2-[(1,5-dimethyl-1H-pyrazol-4-yl)methylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, methyl (2Z)-2-[(1,5-dimethylpyrazol-4-yl)methylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C22H22N4O4S |
|---|---|
| Molecular Weight | 438.14 g/mol |
| LogP | 1.45872 |
| Topological Polar Surface Area | 87.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 438.13617 |
| Heavy Atoms | 31 |
| Complexity | 1376.2108 |
Chemical Identifiers
| CAS Number | 492425-87-3 |
|---|---|
| SMILES | CC1=C(C(N2C(=O)/C(=C/C3=C(N(N=C3)C)C)/SC2=N1)C4=CC=C(C=C4)OC)C(=O)OC |
Product Overview
methyl (2E)-2-[(1,5-dimethyl-1H-pyrazol-4-yl)methylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CAS 492425-87-3), with molecular formula C22H22N4O4S and molecular weight 438.14 g/mol. IUPAC: methyl (2Z)-2-[(1,5-dimethylpyrazol-4-yl)methylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of methyl (2E)-2-[(1,5-dimethyl-1H-pyrazol-4-yl)methylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Property Insights of methyl (2E)-2-[(1,5-dimethyl-1H-pyrazol-4-yl)methylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
The XLogP value of 1.45872 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (2E)-2-[(1,5-dimethyl-1H-pyrazol-4-yl)methylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate. The TPSA of 87.71 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl (2E)-2-[(1,5-dimethyl-1H-pyrazol-4-yl)methylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate. Following Lipinski's Rule of Five, methyl (2E)-2-[(1,5-dimethyl-1H-pyrazol-4-yl)methylidene]-5-(4-methoxyphenyl)-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)-2-[(1,5-dimethyl-1H-pyrazol-4-yl)methylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The CAS number of methyl (2E)-2-[(1,5-dimethyl-1H-pyrazol-4-yl)methylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is 492425-87-3.
What is the molecular formula of methyl (2E)-2-[(1,5-dimethyl-1H-pyrazol-4-yl)methylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The molecular formula of methyl (2E)-2-[(1,5-dimethyl-1H-pyrazol-4-yl)methylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is C22H22N4O4S.
What is the molecular weight of methyl (2E)-2-[(1,5-dimethyl-1H-pyrazol-4-yl)methylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The molecular weight of methyl (2E)-2-[(1,5-dimethyl-1H-pyrazol-4-yl)methylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is 438.14 g/mol.
Where can I buy methyl (2E)-2-[(1,5-dimethyl-1H-pyrazol-4-yl)methylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
You can request a quote for methyl (2E)-2-[(1,5-dimethyl-1H-pyrazol-4-yl)methylidene]-5-(4-methoxyphenyl)-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)-2-[(1,5-dimethyl-1H-pyrazol-4-yl)methylidene]-5-(4-methoxyphenyl)-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)-2-[(1,5-dimethyl-1H-pyrazol-4-yl)methylidene]-5-(4-methoxyphenyl)-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.