![(Z)-3-allyl-5-((2-(allylamino)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one structure](/static/products/3619/361995-89-3.webp)
(Z)-3-allyl-5-((2-(allylamino)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one
TL;DR: (Z)-3-allyl-5-((2-(allylamino)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one (CAS 361995-89-3) is a chemical compound with molecular formula C19H18N4O2S2 and molecular weight 398.09 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-(prop-2-enylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: (Z)-3-allyl-5-((2-(allylamino)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one, (5Z)-5-({9-methyl-4-oxo-2-[(prop-2-en-1-yl)amino]-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-4-one, F0914-3640, (5Z)-5-[[9-methyl-4-oxo-2-(prop-2-enylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one, 2-(allylamino)-3-[(Z)-(3-allyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
| Molecular Formula | C19H18N4O2S2 |
|---|---|
| Molecular Weight | 398.09 g/mol |
| LogP | 2.98802 |
| Topological Polar Surface Area | 66.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 398.08713 |
| Heavy Atoms | 27 |
| Complexity | 1055.5911 |
Chemical Identifiers
| CAS Number | 361995-89-3 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC(=C(C2=O)/C=C\3/C(=O)N(C(=S)S3)CC=C)NCC=C |
Product Overview
(Z)-3-allyl-5-((2-(allylamino)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one (CAS 361995-89-3), with molecular formula C19H18N4O2S2 and molecular weight 398.09 g/mol. IUPAC: (5Z)-5-[[9-methyl-4-oxo-2-(prop-2-enylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of (Z)-3-allyl-5-((2-(allylamino)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one
Property Insights of (Z)-3-allyl-5-((2-(allylamino)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one
The XLogP value of 2.98802 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-3-allyl-5-((2-(allylamino)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one. The TPSA of 66.71 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-3-allyl-5-((2-(allylamino)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one. Following Lipinski's Rule of Five, (Z)-3-allyl-5-((2-(allylamino)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-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 (Z)-3-allyl-5-((2-(allylamino)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one?
The CAS number of (Z)-3-allyl-5-((2-(allylamino)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one is 361995-89-3.
What is the molecular formula of (Z)-3-allyl-5-((2-(allylamino)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one?
The molecular formula of (Z)-3-allyl-5-((2-(allylamino)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one is C19H18N4O2S2.
What is the molecular weight of (Z)-3-allyl-5-((2-(allylamino)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one?
The molecular weight of (Z)-3-allyl-5-((2-(allylamino)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one is 398.09 g/mol.
Where can I buy (Z)-3-allyl-5-((2-(allylamino)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one?
You can request a quote for (Z)-3-allyl-5-((2-(allylamino)-9-methyl-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-allyl-5-((2-(allylamino)-9-methyl-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-allyl-5-((2-(allylamino)-9-methyl-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.