![3-{(Z)-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(3-hydroxypropyl)amino]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one structure](/static/products/4881/488137-05-9.webp)
3-{(Z)-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(3-hydroxypropyl)amino]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
TL;DR: 3-{(Z)-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(3-hydroxypropyl)amino]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one (CAS 488137-05-9) is a chemical compound with molecular formula C24H22N4O5S2 and molecular weight 510.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-[[2-(3-hydroxypropylamino)-7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 3-{(Z)-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(3-hydroxypropyl)amino]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one, (Z)-3-(benzo[d][1,3]dioxol-5-ylmethyl)-5-((2-((3-hydroxypropyl)amino)-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one, (5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-[[2-(3-hydroxypropylamino)-7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, 3-(2H-benzo[3,4-d]1,3-dioxolan-5-ylmethyl)-5-({2-[(3-hydroxypropyl)amino]-7-me thyl-4-oxo(5-hydropyridino[1,2-a]pyrimidin-3-yl)}methylene)-2-thioxo-1,3-thiaz olidin-4-one
| Molecular Formula | C24H22N4O5S2 |
|---|---|
| Molecular Weight | 510.10 g/mol |
| LogP | 2.92732 |
| Topological Polar Surface Area | 105.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 510.10315 |
| Heavy Atoms | 35 |
| Complexity | 1435.4171 |
Chemical Identifiers
| CAS Number | 488137-05-9 |
|---|---|
| SMILES | CC1=CN2C(=NC(=C(C2=O)/C=C\3/C(=O)N(C(=S)S3)CC4=CC5=C(C=C4)OCO5)NCCCO)C=C1 |
Product Overview
3-{(Z)-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(3-hydroxypropyl)amino]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one (CAS 488137-05-9), with molecular formula C24H22N4O5S2 and molecular weight 510.10 g/mol. IUPAC: (5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-[[2-(3-hydroxypropylamino)-7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of 3-{(Z)-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(3-hydroxypropyl)amino]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Property Insights of 3-{(Z)-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(3-hydroxypropyl)amino]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
The XLogP value of 2.92732 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{(Z)-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(3-hydroxypropyl)amino]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one. The TPSA of 105.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{(Z)-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(3-hydroxypropyl)amino]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one. Following Lipinski's Rule of Five, 3-{(Z)-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(3-hydroxypropyl)amino]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one has 2 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 3-{(Z)-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(3-hydroxypropyl)amino]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one?
The CAS number of 3-{(Z)-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(3-hydroxypropyl)amino]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one is 488137-05-9.
What is the molecular formula of 3-{(Z)-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(3-hydroxypropyl)amino]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one?
The molecular formula of 3-{(Z)-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(3-hydroxypropyl)amino]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one is C24H22N4O5S2.
What is the molecular weight of 3-{(Z)-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(3-hydroxypropyl)amino]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one?
The molecular weight of 3-{(Z)-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(3-hydroxypropyl)amino]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one is 510.10 g/mol.
Where can I buy 3-{(Z)-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(3-hydroxypropyl)amino]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one?
You can request a quote for 3-{(Z)-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(3-hydroxypropyl)amino]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{(Z)-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(3-hydroxypropyl)amino]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-{(Z)-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(3-hydroxypropyl)amino]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.