![(3E)-3-[(4-fluorophenyl)methylidene]-4-iminopyrimido[2,1-b][1,3]benzothiazol-2-one structure](/static/products/896/896854-62-9.png)
(3E)-3-[(4-fluorophenyl)methylidene]-4-iminopyrimido[2,1-b][1,3]benzothiazol-2-one
TL;DR: (3E)-3-[(4-fluorophenyl)methylidene]-4-iminopyrimido[2,1-b][1,3]benzothiazol-2-one (CAS 896854-62-9) is a chemical compound with molecular formula C17H10FN3OS and molecular weight 323.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3E)-3-[(4-fluorophenyl)methylidene]-4-iminopyrimido[2,1-b][1,3]benzothiazol-2-one
Also Known As: (3E)-3-[(4-fluorophenyl)methylidene]-4-iminopyrimido[2,1-b][1,3]benzothiazol-2-one, (3E)-3-(4-fluorobenzylidene)-4-imino-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one, (E)-3-(4-fluorobenzylidene)-4-imino-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-one
| Molecular Formula | C17H10FN3OS |
|---|---|
| Molecular Weight | 323.05 g/mol |
| LogP | 3.69487 |
| Topological Polar Surface Area | 56.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 323.05286 |
| Heavy Atoms | 23 |
| Complexity | 902.30945 |
Chemical Identifiers
| CAS Number | 896854-62-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N3C(=N)/C(=C\C4=CC=C(C=C4)F)/C(=O)N=C3S2 |
Product Overview
(3E)-3-[(4-fluorophenyl)methylidene]-4-iminopyrimido[2,1-b][1,3]benzothiazol-2-one (CAS 896854-62-9), with molecular formula C17H10FN3OS and molecular weight 323.05 g/mol. IUPAC: (3E)-3-[(4-fluorophenyl)methylidene]-4-iminopyrimido[2,1-b][1,3]benzothiazol-2-one.
Chemical Property Profile of (3E)-3-[(4-fluorophenyl)methylidene]-4-iminopyrimido[2,1-b][1,3]benzothiazol-2-one
Property Insights of (3E)-3-[(4-fluorophenyl)methylidene]-4-iminopyrimido[2,1-b][1,3]benzothiazol-2-one
The XLogP value of 3.69487 indicates that (3E)-3-[(4-fluorophenyl)methylidene]-4-iminopyrimido[2,1-b][1,3]benzothiazol-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.52 Ų, (3E)-3-[(4-fluorophenyl)methylidene]-4-iminopyrimido[2,1-b][1,3]benzothiazol-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3E)-3-[(4-fluorophenyl)methylidene]-4-iminopyrimido[2,1-b][1,3]benzothiazol-2-one has 1 hydrogen bond donor(s) and 3 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 (3E)-3-[(4-fluorophenyl)methylidene]-4-iminopyrimido[2,1-b][1,3]benzothiazol-2-one?
The CAS number of (3E)-3-[(4-fluorophenyl)methylidene]-4-iminopyrimido[2,1-b][1,3]benzothiazol-2-one is 896854-62-9.
What is the molecular formula of (3E)-3-[(4-fluorophenyl)methylidene]-4-iminopyrimido[2,1-b][1,3]benzothiazol-2-one?
The molecular formula of (3E)-3-[(4-fluorophenyl)methylidene]-4-iminopyrimido[2,1-b][1,3]benzothiazol-2-one is C17H10FN3OS.
What is the molecular weight of (3E)-3-[(4-fluorophenyl)methylidene]-4-iminopyrimido[2,1-b][1,3]benzothiazol-2-one?
The molecular weight of (3E)-3-[(4-fluorophenyl)methylidene]-4-iminopyrimido[2,1-b][1,3]benzothiazol-2-one is 323.05 g/mol.
Where can I buy (3E)-3-[(4-fluorophenyl)methylidene]-4-iminopyrimido[2,1-b][1,3]benzothiazol-2-one?
You can request a quote for (3E)-3-[(4-fluorophenyl)methylidene]-4-iminopyrimido[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 (3E)-3-[(4-fluorophenyl)methylidene]-4-iminopyrimido[2,1-b][1,3]benzothiazol-2-one?
Yes, KEHONG BIO provides custom synthesis services for (3E)-3-[(4-fluorophenyl)methylidene]-4-iminopyrimido[2,1-b][1,3]benzothiazol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.