![ethyl 2-[1-[3-[(Z)-(3-butan-2-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl]-3-oxopiperazin-2-yl]acetate structure](/static/products/103/1031208-71-5.png)
ethyl 2-[1-[3-[(Z)-(3-butan-2-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl]-3-oxopiperazin-2-yl]acetate
TL;DR: ethyl 2-[1-[3-[(Z)-(3-butan-2-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl]-3-oxopiperazin-2-yl]acetate (CAS 1031208-71-5) is a chemical compound with molecular formula C25H29N5O5S2 and molecular weight 543.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[1-[3-[(Z)-(3-butan-2-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl]-3-oxopiperazin-2-yl]acetate
Also Known As: ethyl 2-[1-[3-[(Z)-(3-butan-2-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl]-3-oxopiperazin-2-yl]acetate, (1-{3-[3-sec-Butyl-4-oxo-2-thioxo-thiazolidin-(5Z)-ylidenemethyl]-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimi din-2-yl}-3-oxo-piperazin-2-yl)-acetic acid ethyl ester, (Z)-ethyl 2-(1-(3-((3-(sec-butyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-oxopiperazin-2-yl)acetate, 2-[1-[3-[(Z)-(3-butan-2-yl-4-oxo-2-sulfanylidene-5-thiazolidinylidene)methyl]-7-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl]-3-oxo-2-piperazinyl]acetic acid ethyl ester, 2-[3-keto-1-[4-keto-3-[(Z)-(4-keto-3-sec-butyl-2-thioxo-thiazolidin-5-ylidene)methyl]-7-methyl-pyrido[1,2-a]pyrimidin-2-yl]piperazin-2-yl]acetic acid ethyl ester
| Molecular Formula | C25H29N5O5S2 |
|---|---|
| Molecular Weight | 543.16 g/mol |
| LogP | 2.26062 |
| Topological Polar Surface Area | 113.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 543.161 |
| Heavy Atoms | 37 |
| Complexity | 1371.2301 |
Chemical Identifiers
| CAS Number | 1031208-71-5 |
|---|---|
| SMILES | CCC(C)N1C(=O)/C(=C/C2=C(N=C3C=CC(=CN3C2=O)C)N4CCNC(=O)C4CC(=O)OCC)/SC1=S |
Product Overview
ethyl 2-[1-[3-[(Z)-(3-butan-2-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl]-3-oxopiperazin-2-yl]acetate (CAS 1031208-71-5), with molecular formula C25H29N5O5S2 and molecular weight 543.16 g/mol. IUPAC: ethyl 2-[1-[3-[(Z)-(3-butan-2-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl]-3-oxopiperazin-2-yl]acetate.
Chemical Property Profile of ethyl 2-[1-[3-[(Z)-(3-butan-2-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl]-3-oxopiperazin-2-yl]acetate
Property Insights of ethyl 2-[1-[3-[(Z)-(3-butan-2-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl]-3-oxopiperazin-2-yl]acetate
The XLogP value of 2.26062 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-[1-[3-[(Z)-(3-butan-2-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl]-3-oxopiperazin-2-yl]acetate. The TPSA of 113.32 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-[1-[3-[(Z)-(3-butan-2-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl]-3-oxopiperazin-2-yl]acetate. Following Lipinski's Rule of Five, ethyl 2-[1-[3-[(Z)-(3-butan-2-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl]-3-oxopiperazin-2-yl]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 ethyl 2-[1-[3-[(Z)-(3-butan-2-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl]-3-oxopiperazin-2-yl]acetate?
The CAS number of ethyl 2-[1-[3-[(Z)-(3-butan-2-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl]-3-oxopiperazin-2-yl]acetate is 1031208-71-5.
What is the molecular formula of ethyl 2-[1-[3-[(Z)-(3-butan-2-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl]-3-oxopiperazin-2-yl]acetate?
The molecular formula of ethyl 2-[1-[3-[(Z)-(3-butan-2-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl]-3-oxopiperazin-2-yl]acetate is C25H29N5O5S2.
What is the molecular weight of ethyl 2-[1-[3-[(Z)-(3-butan-2-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl]-3-oxopiperazin-2-yl]acetate?
The molecular weight of ethyl 2-[1-[3-[(Z)-(3-butan-2-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl]-3-oxopiperazin-2-yl]acetate is 543.16 g/mol.
Where can I buy ethyl 2-[1-[3-[(Z)-(3-butan-2-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl]-3-oxopiperazin-2-yl]acetate?
You can request a quote for ethyl 2-[1-[3-[(Z)-(3-butan-2-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl]-3-oxopiperazin-2-yl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-[1-[3-[(Z)-(3-butan-2-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl]-3-oxopiperazin-2-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[1-[3-[(Z)-(3-butan-2-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl]-3-oxopiperazin-2-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.