![(Z)-3-(benzo[d][1,3]dioxol-5-ylmethyl)-5-((9-methyl-2-(methylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one structure](/static/products/489/489404-24-2.png)
(Z)-3-(benzo[d][1,3]dioxol-5-ylmethyl)-5-((9-methyl-2-(methylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one
TL;DR: (Z)-3-(benzo[d][1,3]dioxol-5-ylmethyl)-5-((9-methyl-2-(methylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one (CAS 489404-24-2) is a chemical compound with molecular formula C22H18N4O4S2 and molecular weight 466.08 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-[[9-methyl-2-(methylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: (Z)-3-(benzo[d][1,3]dioxol-5-ylmethyl)-5-((9-methyl-2-(methylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one, (5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-[[9-methyl-2-(methylamino)-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-{[9-methyl-2-(methylamino)-4-oxo( 5-hydropyridino[1,2-a]pyrimidin-3-yl)]methylene}-2-thioxo-1,3-thiazolidin-4-on e, 3-{(Z)-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-2-(methylamino)-4H-pyrido[1,2-a]pyrimidin-4-one
| Molecular Formula | C22H18N4O4S2 |
|---|---|
| Molecular Weight | 466.08 g/mol |
| LogP | 3.17472 |
| Topological Polar Surface Area | 85.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 466.07693 |
| Heavy Atoms | 32 |
| Complexity | 1382.3389 |
Chemical Identifiers
| CAS Number | 489404-24-2 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC(=C(C2=O)/C=C\3/C(=O)N(C(=S)S3)CC4=CC5=C(C=C4)OCO5)NC |
Product Overview
(Z)-3-(benzo[d][1,3]dioxol-5-ylmethyl)-5-((9-methyl-2-(methylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one (CAS 489404-24-2), with molecular formula C22H18N4O4S2 and molecular weight 466.08 g/mol. IUPAC: (5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-[[9-methyl-2-(methylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of (Z)-3-(benzo[d][1,3]dioxol-5-ylmethyl)-5-((9-methyl-2-(methylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one
Property Insights of (Z)-3-(benzo[d][1,3]dioxol-5-ylmethyl)-5-((9-methyl-2-(methylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one
The XLogP value of 3.17472 indicates that (Z)-3-(benzo[d][1,3]dioxol-5-ylmethyl)-5-((9-methyl-2-(methylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.17 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-3-(benzo[d][1,3]dioxol-5-ylmethyl)-5-((9-methyl-2-(methylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one. Following Lipinski's Rule of Five, (Z)-3-(benzo[d][1,3]dioxol-5-ylmethyl)-5-((9-methyl-2-(methylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one has 1 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 (Z)-3-(benzo[d][1,3]dioxol-5-ylmethyl)-5-((9-methyl-2-(methylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one?
The CAS number of (Z)-3-(benzo[d][1,3]dioxol-5-ylmethyl)-5-((9-methyl-2-(methylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one is 489404-24-2.
What is the molecular formula of (Z)-3-(benzo[d][1,3]dioxol-5-ylmethyl)-5-((9-methyl-2-(methylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one?
The molecular formula of (Z)-3-(benzo[d][1,3]dioxol-5-ylmethyl)-5-((9-methyl-2-(methylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one is C22H18N4O4S2.
What is the molecular weight of (Z)-3-(benzo[d][1,3]dioxol-5-ylmethyl)-5-((9-methyl-2-(methylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one?
The molecular weight of (Z)-3-(benzo[d][1,3]dioxol-5-ylmethyl)-5-((9-methyl-2-(methylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one is 466.08 g/mol.
Where can I buy (Z)-3-(benzo[d][1,3]dioxol-5-ylmethyl)-5-((9-methyl-2-(methylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one?
You can request a quote for (Z)-3-(benzo[d][1,3]dioxol-5-ylmethyl)-5-((9-methyl-2-(methylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-3-(benzo[d][1,3]dioxol-5-ylmethyl)-5-((9-methyl-2-(methylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for (Z)-3-(benzo[d][1,3]dioxol-5-ylmethyl)-5-((9-methyl-2-(methylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.