![3-{[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(3-hydroxypropyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one structure](/static/products/1019/1019776-30-7.webp)
3-{[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(3-hydroxypropyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
TL;DR: 3-{[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(3-hydroxypropyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one (CAS 1019776-30-7) is a chemical compound with molecular formula C23H20N4O5S2 and molecular weight 496.09 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)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 3-{[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(3-hydroxypropyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one, AS-871/42099636, (5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-[[2-(3-hydroxypropylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, (Z)-3-(benzo[d][1,3]dioxol-5-ylmethyl)-5-((2-((3-hydroxypropyl)amino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one, 3-(2H-benzo[3,4-d]1,3-dioxolan-5-ylmethyl)-5-({2-[(3-hydroxypropyl)amino]-4-ox o(5-hydropyridino[1,2-a]pyrimidin-3-yl)}methylene)-2-thioxo-1,3-thiazolidin-4- one
| Molecular Formula | C23H20N4O5S2 |
|---|---|
| Molecular Weight | 496.09 g/mol |
| LogP | 2.6189 |
| Topological Polar Surface Area | 105.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 496.08752 |
| Heavy Atoms | 34 |
| Complexity | 1387.5234 |
Chemical Identifiers
| CAS Number | 1019776-30-7 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CN3C(=O)/C(=C/C4=C(N=C5C=CC=CN5C4=O)NCCCO)/SC3=S |
Product Overview
3-{[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(3-hydroxypropyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one (CAS 1019776-30-7), with molecular formula C23H20N4O5S2 and molecular weight 496.09 g/mol. IUPAC: (5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-[[2-(3-hydroxypropylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of 3-{[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(3-hydroxypropyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
Property Insights of 3-{[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(3-hydroxypropyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
The XLogP value of 2.6189 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(3-hydroxypropyl)amino]-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-{[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(3-hydroxypropyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one. Following Lipinski's Rule of Five, 3-{[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(3-hydroxypropyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one has 2 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 3-{[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(3-hydroxypropyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one?
The CAS number of 3-{[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(3-hydroxypropyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one is 1019776-30-7.
What is the molecular formula of 3-{[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(3-hydroxypropyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one?
The molecular formula of 3-{[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(3-hydroxypropyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one is C23H20N4O5S2.
What is the molecular weight of 3-{[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(3-hydroxypropyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one?
The molecular weight of 3-{[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(3-hydroxypropyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one is 496.09 g/mol.
Where can I buy 3-{[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(3-hydroxypropyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one?
You can request a quote for 3-{[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(3-hydroxypropyl)amino]-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-{[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(3-hydroxypropyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-{[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(3-hydroxypropyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.