![(E)-methyl 5-(4-acetoxyphenyl)-7-methyl-3-oxo-2-(pyridin-3-ylmethylene)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate acetate structure](/static/products/473/473567-92-9.png)
(E)-methyl 5-(4-acetoxyphenyl)-7-methyl-3-oxo-2-(pyridin-3-ylmethylene)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate acetate
TL;DR: (E)-methyl 5-(4-acetoxyphenyl)-7-methyl-3-oxo-2-(pyridin-3-ylmethylene)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate acetate (CAS 473567-92-9) is a chemical compound with molecular formula C25H23N3O7S and molecular weight 509.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
acetic acid;methyl (2E)-5-(4-acetyloxyphenyl)-7-methyl-3-oxo-2-(pyridin-3-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: (E)-methyl 5-(4-acetoxyphenyl)-7-methyl-3-oxo-2-(pyridin-3-ylmethylene)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate acetate, acetic acid; methyl (2E)-5-(4-acetyloxyphenyl)-7-methyl-3-oxo-2-(pyridin-3-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C25H23N3O7S |
|---|---|
| Molecular Weight | 509.13 g/mol |
| LogP | 1.8194 |
| Topological Polar Surface Area | 137.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 509.12567 |
| Heavy Atoms | 36 |
| Complexity | 1499.6647 |
Chemical Identifiers
| CAS Number | 473567-92-9 |
|---|---|
| SMILES | CC1=C(C(N2C(=O)/C(=C\C3=CN=CC=C3)/SC2=N1)C4=CC=C(C=C4)OC(=O)C)C(=O)OC.CC(=O)O |
Product Overview
(E)-methyl 5-(4-acetoxyphenyl)-7-methyl-3-oxo-2-(pyridin-3-ylmethylene)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate acetate (CAS 473567-92-9), with molecular formula C25H23N3O7S and molecular weight 509.13 g/mol. IUPAC: acetic acid;methyl (2E)-5-(4-acetyloxyphenyl)-7-methyl-3-oxo-2-(pyridin-3-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of (E)-methyl 5-(4-acetoxyphenyl)-7-methyl-3-oxo-2-(pyridin-3-ylmethylene)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate acetate
Property Insights of (E)-methyl 5-(4-acetoxyphenyl)-7-methyl-3-oxo-2-(pyridin-3-ylmethylene)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate acetate
The XLogP value of 1.8194 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-methyl 5-(4-acetoxyphenyl)-7-methyl-3-oxo-2-(pyridin-3-ylmethylene)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate acetate. The TPSA of 137.15 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-methyl 5-(4-acetoxyphenyl)-7-methyl-3-oxo-2-(pyridin-3-ylmethylene)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate acetate. Following Lipinski's Rule of Five, (E)-methyl 5-(4-acetoxyphenyl)-7-methyl-3-oxo-2-(pyridin-3-ylmethylene)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate acetate has 1 hydrogen bond donor(s) and 9 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 5-(4-acetoxyphenyl)-7-methyl-3-oxo-2-(pyridin-3-ylmethylene)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate acetate?
The CAS number of (E)-methyl 5-(4-acetoxyphenyl)-7-methyl-3-oxo-2-(pyridin-3-ylmethylene)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate acetate is 473567-92-9.
What is the molecular formula of (E)-methyl 5-(4-acetoxyphenyl)-7-methyl-3-oxo-2-(pyridin-3-ylmethylene)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate acetate?
The molecular formula of (E)-methyl 5-(4-acetoxyphenyl)-7-methyl-3-oxo-2-(pyridin-3-ylmethylene)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate acetate is C25H23N3O7S.
What is the molecular weight of (E)-methyl 5-(4-acetoxyphenyl)-7-methyl-3-oxo-2-(pyridin-3-ylmethylene)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate acetate?
The molecular weight of (E)-methyl 5-(4-acetoxyphenyl)-7-methyl-3-oxo-2-(pyridin-3-ylmethylene)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate acetate is 509.13 g/mol.
Where can I buy (E)-methyl 5-(4-acetoxyphenyl)-7-methyl-3-oxo-2-(pyridin-3-ylmethylene)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate acetate?
You can request a quote for (E)-methyl 5-(4-acetoxyphenyl)-7-methyl-3-oxo-2-(pyridin-3-ylmethylene)-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 5-(4-acetoxyphenyl)-7-methyl-3-oxo-2-(pyridin-3-ylmethylene)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate acetate?
Yes, KEHONG BIO provides custom synthesis services for (E)-methyl 5-(4-acetoxyphenyl)-7-methyl-3-oxo-2-(pyridin-3-ylmethylene)-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.