![3-[(Z)-(3-isobutyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-2-[(2-phenylethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one structure](/static/products/4698/469879-32-1.webp)
3-[(Z)-(3-isobutyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-2-[(2-phenylethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
TL;DR: 3-[(Z)-(3-isobutyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-2-[(2-phenylethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one (CAS 469879-32-1) is a chemical compound with molecular formula C25H26N4O2S2 and molecular weight 478.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[[9-methyl-4-oxo-2-(2-phenylethylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 3-[(Z)-(3-isobutyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-2-[(2-phenylethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one, (Z)-3-isobutyl-5-((9-methyl-4-oxo-2-(phenethylamino)-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one, (5Z)-5-({9-METHYL-4-OXO-2-[(2-PHENYLETHYL)AMINO]-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL}METHYLIDENE)-3-(2-METHYLPROPYL)-2-SULFANYLIDENE-1,3-THIAZOLIDIN-4-ONE, (5Z)-5-[[9-methyl-4-oxo-2-(phenethylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one, 3-((Z)-(3-ISOBUTYL-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL)-9-ME THYL-2-((2-PHENYLETHYL)AMINO)-4H-PYRIDO(1,2-A)PYRIMIDIN-4-ONE
| Molecular Formula | C25H26N4O2S2 |
|---|---|
| Molecular Weight | 478.15 g/mol |
| LogP | 4.51472 |
| Topological Polar Surface Area | 66.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 478.14972 |
| Heavy Atoms | 33 |
| Complexity | 1298.9999 |
Chemical Identifiers
| CAS Number | 469879-32-1 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC(=C(C2=O)/C=C\3/C(=O)N(C(=S)S3)CC(C)C)NCCC4=CC=CC=C4 |
Product Overview
3-[(Z)-(3-isobutyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-2-[(2-phenylethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one (CAS 469879-32-1), with molecular formula C25H26N4O2S2 and molecular weight 478.15 g/mol. IUPAC: (5Z)-5-[[9-methyl-4-oxo-2-(2-phenylethylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of 3-[(Z)-(3-isobutyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-2-[(2-phenylethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
Property Insights of 3-[(Z)-(3-isobutyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-2-[(2-phenylethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
The XLogP value of 4.51472 indicates that 3-[(Z)-(3-isobutyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-2-[(2-phenylethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(Z)-(3-isobutyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-2-[(2-phenylethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one. Following Lipinski's Rule of Five, 3-[(Z)-(3-isobutyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-2-[(2-phenylethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one has 1 hydrogen bond donor(s) and 6 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-[(Z)-(3-isobutyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-2-[(2-phenylethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one?
The CAS number of 3-[(Z)-(3-isobutyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-2-[(2-phenylethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one is 469879-32-1.
What is the molecular formula of 3-[(Z)-(3-isobutyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-2-[(2-phenylethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one?
The molecular formula of 3-[(Z)-(3-isobutyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-2-[(2-phenylethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one is C25H26N4O2S2.
What is the molecular weight of 3-[(Z)-(3-isobutyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-2-[(2-phenylethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one?
The molecular weight of 3-[(Z)-(3-isobutyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-2-[(2-phenylethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one is 478.15 g/mol.
Where can I buy 3-[(Z)-(3-isobutyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-2-[(2-phenylethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one?
You can request a quote for 3-[(Z)-(3-isobutyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-2-[(2-phenylethyl)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-[(Z)-(3-isobutyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-2-[(2-phenylethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[(Z)-(3-isobutyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-2-[(2-phenylethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.