![(3Z)-3-[[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-4-imino-8-methylsulfonylpyrimido[2,1-b][1,3]benzothiazol-2-one structure](/static/products/896/896813-64-2.png)
(3Z)-3-[[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-4-imino-8-methylsulfonylpyrimido[2,1-b][1,3]benzothiazol-2-one
TL;DR: (3Z)-3-[[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-4-imino-8-methylsulfonylpyrimido[2,1-b][1,3]benzothiazol-2-one (CAS 896813-64-2) is a chemical compound with molecular formula C24H19FN4O3S2 and molecular weight 494.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3Z)-3-[[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-4-imino-8-methylsulfonylpyrimido[2,1-b][1,3]benzothiazol-2-one
Also Known As: (3Z)-3-[[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-4-imino-8-methylsulfonylpyrimido[2,1-b][1,3]benzothiazol-2-one, (3Z)-3-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-4-imino-8-(methylsulfonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one, (Z)-3-((1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-4-imino-8-(methylsulfonyl)-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-one
| Molecular Formula | C24H19FN4O3S2 |
|---|---|
| Molecular Weight | 494.09 g/mol |
| LogP | 4.50591 |
| Topological Polar Surface Area | 95.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 494.08826 |
| Heavy Atoms | 34 |
| Complexity | 1568.1222 |
Chemical Identifiers
| CAS Number | 896813-64-2 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=C(C=C2)F)C)/C=C\3/C(=N)N4C5=C(C=C(C=C5)S(=O)(=O)C)SC4=NC3=O |
Product Overview
(3Z)-3-[[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-4-imino-8-methylsulfonylpyrimido[2,1-b][1,3]benzothiazol-2-one (CAS 896813-64-2), with molecular formula C24H19FN4O3S2 and molecular weight 494.09 g/mol. IUPAC: (3Z)-3-[[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-4-imino-8-methylsulfonylpyrimido[2,1-b][1,3]benzothiazol-2-one.
Chemical Property Profile of (3Z)-3-[[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-4-imino-8-methylsulfonylpyrimido[2,1-b][1,3]benzothiazol-2-one
Property Insights of (3Z)-3-[[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-4-imino-8-methylsulfonylpyrimido[2,1-b][1,3]benzothiazol-2-one
The XLogP value of 4.50591 indicates that (3Z)-3-[[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-4-imino-8-methylsulfonylpyrimido[2,1-b][1,3]benzothiazol-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.59 Ų falls within the moderate polarity range, balancing permeability and solubility for (3Z)-3-[[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-4-imino-8-methylsulfonylpyrimido[2,1-b][1,3]benzothiazol-2-one. Following Lipinski's Rule of Five, (3Z)-3-[[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-4-imino-8-methylsulfonylpyrimido[2,1-b][1,3]benzothiazol-2-one has 1 hydrogen bond donor(s) and 5 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 (3Z)-3-[[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-4-imino-8-methylsulfonylpyrimido[2,1-b][1,3]benzothiazol-2-one?
The CAS number of (3Z)-3-[[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-4-imino-8-methylsulfonylpyrimido[2,1-b][1,3]benzothiazol-2-one is 896813-64-2.
What is the molecular formula of (3Z)-3-[[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-4-imino-8-methylsulfonylpyrimido[2,1-b][1,3]benzothiazol-2-one?
The molecular formula of (3Z)-3-[[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-4-imino-8-methylsulfonylpyrimido[2,1-b][1,3]benzothiazol-2-one is C24H19FN4O3S2.
What is the molecular weight of (3Z)-3-[[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-4-imino-8-methylsulfonylpyrimido[2,1-b][1,3]benzothiazol-2-one?
The molecular weight of (3Z)-3-[[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-4-imino-8-methylsulfonylpyrimido[2,1-b][1,3]benzothiazol-2-one is 494.09 g/mol.
Where can I buy (3Z)-3-[[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-4-imino-8-methylsulfonylpyrimido[2,1-b][1,3]benzothiazol-2-one?
You can request a quote for (3Z)-3-[[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-4-imino-8-methylsulfonylpyrimido[2,1-b][1,3]benzothiazol-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3Z)-3-[[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-4-imino-8-methylsulfonylpyrimido[2,1-b][1,3]benzothiazol-2-one?
Yes, KEHONG BIO provides custom synthesis services for (3Z)-3-[[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-4-imino-8-methylsulfonylpyrimido[2,1-b][1,3]benzothiazol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.