![ethyl (2Z)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2-(1H-pyrrol-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate structure](/static/products/328/328035-47-8.png)
ethyl (2Z)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2-(1H-pyrrol-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
TL;DR: ethyl (2Z)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2-(1H-pyrrol-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CAS 328035-47-8) 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.
ethyl (2Z)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2-(1H-pyrrol-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: ethyl (2Z)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2-(1H-pyrrol-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, Ethyl 2-((1H-pyrrol-2-yl)methylene)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C22H21N3O4S |
|---|---|
| Molecular Weight | 423.13 g/mol |
| LogP | 2.135 |
| Topological Polar Surface Area | 85.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 423.12527 |
| Heavy Atoms | 30 |
| Complexity | 1281.5931 |
Chemical Identifiers
| CAS Number | 328035-47-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)OC)C(=O)/C(=C/C4=CC=CN4)/S2)C |
Product Overview
ethyl (2Z)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2-(1H-pyrrol-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CAS 328035-47-8), with molecular formula C22H21N3O4S and molecular weight 423.13 g/mol. IUPAC: ethyl (2Z)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2-(1H-pyrrol-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of ethyl (2Z)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2-(1H-pyrrol-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Property Insights of ethyl (2Z)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2-(1H-pyrrol-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
The XLogP value of 2.135 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (2Z)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2-(1H-pyrrol-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate. The TPSA of 85.68 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl (2Z)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2-(1H-pyrrol-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate. Following Lipinski's Rule of Five, ethyl (2Z)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2-(1H-pyrrol-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has 1 hydrogen bond donor(s) and 6 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 ethyl (2Z)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2-(1H-pyrrol-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The CAS number of ethyl (2Z)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2-(1H-pyrrol-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is 328035-47-8.
What is the molecular formula of ethyl (2Z)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2-(1H-pyrrol-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The molecular formula of ethyl (2Z)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2-(1H-pyrrol-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is C22H21N3O4S.
What is the molecular weight of ethyl (2Z)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2-(1H-pyrrol-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The molecular weight of ethyl (2Z)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2-(1H-pyrrol-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is 423.13 g/mol.
Where can I buy ethyl (2Z)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2-(1H-pyrrol-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
You can request a quote for ethyl (2Z)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2-(1H-pyrrol-2-ylmethylidene)-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 (2Z)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2-(1H-pyrrol-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (2Z)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2-(1H-pyrrol-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.