![ethyl 4-(9-methyl-4-oxo-3-{(Z)-[4-oxo-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-2-yl)piperazine-1-carboxylate structure](/static/products/607/607692-86-4.png)
ethyl 4-(9-methyl-4-oxo-3-{(Z)-[4-oxo-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-2-yl)piperazine-1-carboxylate
TL;DR: ethyl 4-(9-methyl-4-oxo-3-{(Z)-[4-oxo-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-2-yl)piperazine-1-carboxylate (CAS 607692-86-4) is a chemical compound with molecular formula C23H25N5O4S2 and molecular weight 499.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[9-methyl-4-oxo-3-[(Z)-(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyrido[1,2-a]pyrimidin-2-yl]piperazine-1-carboxylate
Also Known As: ethyl 4-(9-methyl-4-oxo-3-{(Z)-[4-oxo-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-2-yl)piperazine-1-carboxylate, (Z)-ethyl 4-(3-((3-allyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperazine-1-carboxylate, ethyl 4-[9-methyl-4-oxo-3-[(Z)-(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyrido[1,2-a]pyrimidin-2-yl]piperazine-1-carboxylate, ethyl 4-{9-methyl-4-oxo-3-[(4-oxo-3-prop-2-enyl-2-thioxo(1,3-thiazolidin-5-yli dene))methyl]-5-hydropyridino[1,2-a]pyrimidin-2-yl}piperazinecarboxylate
| Molecular Formula | C23H25N5O4S2 |
|---|---|
| Molecular Weight | 499.13 g/mol |
| LogP | 2.66862 |
| Topological Polar Surface Area | 87.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 499.1348 |
| Heavy Atoms | 34 |
| Complexity | 1263.9742 |
Chemical Identifiers
| CAS Number | 607692-86-4 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C2=C(C(=O)N3C=CC=C(C3=N2)C)/C=C\4/C(=O)N(C(=S)S4)CC=C |
Product Overview
ethyl 4-(9-methyl-4-oxo-3-{(Z)-[4-oxo-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-2-yl)piperazine-1-carboxylate (CAS 607692-86-4), with molecular formula C23H25N5O4S2 and molecular weight 499.13 g/mol. IUPAC: ethyl 4-[9-methyl-4-oxo-3-[(Z)-(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyrido[1,2-a]pyrimidin-2-yl]piperazine-1-carboxylate.
Chemical Property Profile of ethyl 4-(9-methyl-4-oxo-3-{(Z)-[4-oxo-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-2-yl)piperazine-1-carboxylate
Property Insights of ethyl 4-(9-methyl-4-oxo-3-{(Z)-[4-oxo-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-2-yl)piperazine-1-carboxylate
The XLogP value of 2.66862 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-(9-methyl-4-oxo-3-{(Z)-[4-oxo-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-2-yl)piperazine-1-carboxylate. The TPSA of 87.46 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-(9-methyl-4-oxo-3-{(Z)-[4-oxo-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-2-yl)piperazine-1-carboxylate. Following Lipinski's Rule of Five, ethyl 4-(9-methyl-4-oxo-3-{(Z)-[4-oxo-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-2-yl)piperazine-1-carboxylate has 0 hydrogen bond donor(s) and 8 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 4-(9-methyl-4-oxo-3-{(Z)-[4-oxo-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-2-yl)piperazine-1-carboxylate?
The CAS number of ethyl 4-(9-methyl-4-oxo-3-{(Z)-[4-oxo-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-2-yl)piperazine-1-carboxylate is 607692-86-4.
What is the molecular formula of ethyl 4-(9-methyl-4-oxo-3-{(Z)-[4-oxo-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-2-yl)piperazine-1-carboxylate?
The molecular formula of ethyl 4-(9-methyl-4-oxo-3-{(Z)-[4-oxo-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-2-yl)piperazine-1-carboxylate is C23H25N5O4S2.
What is the molecular weight of ethyl 4-(9-methyl-4-oxo-3-{(Z)-[4-oxo-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-2-yl)piperazine-1-carboxylate?
The molecular weight of ethyl 4-(9-methyl-4-oxo-3-{(Z)-[4-oxo-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-2-yl)piperazine-1-carboxylate is 499.13 g/mol.
Where can I buy ethyl 4-(9-methyl-4-oxo-3-{(Z)-[4-oxo-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-2-yl)piperazine-1-carboxylate?
You can request a quote for ethyl 4-(9-methyl-4-oxo-3-{(Z)-[4-oxo-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-2-yl)piperazine-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-(9-methyl-4-oxo-3-{(Z)-[4-oxo-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-2-yl)piperazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(9-methyl-4-oxo-3-{(Z)-[4-oxo-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-2-yl)piperazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.