![(Z)-methyl 2-(1-(3-((3-allyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-oxopiperazin-2-yl)acetate structure](/static/products/103/1031325-66-2.png)
(Z)-methyl 2-(1-(3-((3-allyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-oxopiperazin-2-yl)acetate
TL;DR: (Z)-methyl 2-(1-(3-((3-allyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-oxopiperazin-2-yl)acetate (CAS 1031325-66-2) is a chemical compound with molecular formula C22H21N5O5S2 and molecular weight 499.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[3-oxo-1-[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]piperazin-2-yl]acetate
Also Known As: (Z)-methyl 2-(1-(3-((3-allyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-oxopiperazin-2-yl)acetate, F1425-0157, methyl 2-[3-oxo-1-(4-oxo-3-{[(5Z)-4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-2-yl)piperazin-2-yl]acetate, methyl 2-[3-oxo-1-[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]piperazin-2-yl]acetate, methyl [3-oxo-1-(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)piperazin-2-yl]acetate
| Molecular Formula | C22H21N5O5S2 |
|---|---|
| Molecular Weight | 499.10 g/mol |
| LogP | 0.9496 |
| Topological Polar Surface Area | 113.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 499.09842 |
| Heavy Atoms | 34 |
| Complexity | 1304.3202 |
Chemical Identifiers
| CAS Number | 1031325-66-2 |
|---|---|
| SMILES | COC(=O)CC1C(=O)NCCN1C2=C(C(=O)N3C=CC=CC3=N2)/C=C\4/C(=O)N(C(=S)S4)CC=C |
Product Overview
(Z)-methyl 2-(1-(3-((3-allyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-oxopiperazin-2-yl)acetate (CAS 1031325-66-2), with molecular formula C22H21N5O5S2 and molecular weight 499.10 g/mol. IUPAC: methyl 2-[3-oxo-1-[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]piperazin-2-yl]acetate.
Chemical Property Profile of (Z)-methyl 2-(1-(3-((3-allyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-oxopiperazin-2-yl)acetate
Property Insights of (Z)-methyl 2-(1-(3-((3-allyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-oxopiperazin-2-yl)acetate
The XLogP value of 0.9496 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-methyl 2-(1-(3-((3-allyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-4-oxo-4H-pyrido[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 (Z)-methyl 2-(1-(3-((3-allyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-oxopiperazin-2-yl)acetate. Following Lipinski's Rule of Five, (Z)-methyl 2-(1-(3-((3-allyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-oxopiperazin-2-yl)acetate has 1 hydrogen bond donor(s) and 9 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 (Z)-methyl 2-(1-(3-((3-allyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-oxopiperazin-2-yl)acetate?
The CAS number of (Z)-methyl 2-(1-(3-((3-allyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-oxopiperazin-2-yl)acetate is 1031325-66-2.
What is the molecular formula of (Z)-methyl 2-(1-(3-((3-allyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-oxopiperazin-2-yl)acetate?
The molecular formula of (Z)-methyl 2-(1-(3-((3-allyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-oxopiperazin-2-yl)acetate is C22H21N5O5S2.
What is the molecular weight of (Z)-methyl 2-(1-(3-((3-allyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-oxopiperazin-2-yl)acetate?
The molecular weight of (Z)-methyl 2-(1-(3-((3-allyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-oxopiperazin-2-yl)acetate is 499.10 g/mol.
Where can I buy (Z)-methyl 2-(1-(3-((3-allyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-oxopiperazin-2-yl)acetate?
You can request a quote for (Z)-methyl 2-(1-(3-((3-allyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-4-oxo-4H-pyrido[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 (Z)-methyl 2-(1-(3-((3-allyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-oxopiperazin-2-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-methyl 2-(1-(3-((3-allyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-4-oxo-4H-pyrido[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.