![(3E)-3-[(6-chloro-4-oxo-4H-chromen-3-yl)methylidene]-4-imino-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one structure](/static/products/896/896854-58-3.png)
(3E)-3-[(6-chloro-4-oxo-4H-chromen-3-yl)methylidene]-4-imino-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one
TL;DR: (3E)-3-[(6-chloro-4-oxo-4H-chromen-3-yl)methylidene]-4-imino-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one (CAS 896854-58-3) is a chemical compound with molecular formula C20H10ClN3O3S and molecular weight 407.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3E)-3-[(6-chloro-4-oxochromen-3-yl)methylidene]-4-iminopyrimido[2,1-b][1,3]benzothiazol-2-one
Also Known As: (3E)-3-[(6-chloro-4-oxo-4H-chromen-3-yl)methylidene]-4-imino-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one, (3E)-3-[(6-chloro-4-oxochromen-3-yl)methylidene]-4-iminopyrimido[2,1-b][1,3]benzothiazol-2-one, (E)-3-((6-chloro-4-oxo-4H-chromen-3-yl)methylene)-4-imino-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-one
| Molecular Formula | C20H10ClN3O3S |
|---|---|
| Molecular Weight | 407.01 g/mol |
| LogP | 4.31557 |
| Topological Polar Surface Area | 86.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 407.01315 |
| Heavy Atoms | 28 |
| Complexity | 1325.7656 |
Chemical Identifiers
| CAS Number | 896854-58-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N3C(=N)/C(=C\C4=COC5=C(C4=O)C=C(C=C5)Cl)/C(=O)N=C3S2 |
Product Overview
(3E)-3-[(6-chloro-4-oxo-4H-chromen-3-yl)methylidene]-4-imino-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one (CAS 896854-58-3), with molecular formula C20H10ClN3O3S and molecular weight 407.01 g/mol. IUPAC: (3E)-3-[(6-chloro-4-oxochromen-3-yl)methylidene]-4-iminopyrimido[2,1-b][1,3]benzothiazol-2-one.
Chemical Property Profile of (3E)-3-[(6-chloro-4-oxo-4H-chromen-3-yl)methylidene]-4-imino-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one
Property Insights of (3E)-3-[(6-chloro-4-oxo-4H-chromen-3-yl)methylidene]-4-imino-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one
The XLogP value of 4.31557 indicates that (3E)-3-[(6-chloro-4-oxo-4H-chromen-3-yl)methylidene]-4-imino-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.73 Ų falls within the moderate polarity range, balancing permeability and solubility for (3E)-3-[(6-chloro-4-oxo-4H-chromen-3-yl)methylidene]-4-imino-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one. Following Lipinski's Rule of Five, (3E)-3-[(6-chloro-4-oxo-4H-chromen-3-yl)methylidene]-4-imino-3,4-dihydro-2H-pyrimido[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 (3E)-3-[(6-chloro-4-oxo-4H-chromen-3-yl)methylidene]-4-imino-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one?
The CAS number of (3E)-3-[(6-chloro-4-oxo-4H-chromen-3-yl)methylidene]-4-imino-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one is 896854-58-3.
What is the molecular formula of (3E)-3-[(6-chloro-4-oxo-4H-chromen-3-yl)methylidene]-4-imino-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one?
The molecular formula of (3E)-3-[(6-chloro-4-oxo-4H-chromen-3-yl)methylidene]-4-imino-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one is C20H10ClN3O3S.
What is the molecular weight of (3E)-3-[(6-chloro-4-oxo-4H-chromen-3-yl)methylidene]-4-imino-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one?
The molecular weight of (3E)-3-[(6-chloro-4-oxo-4H-chromen-3-yl)methylidene]-4-imino-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one is 407.01 g/mol.
Where can I buy (3E)-3-[(6-chloro-4-oxo-4H-chromen-3-yl)methylidene]-4-imino-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one?
You can request a quote for (3E)-3-[(6-chloro-4-oxo-4H-chromen-3-yl)methylidene]-4-imino-3,4-dihydro-2H-pyrimido[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-[(6-chloro-4-oxo-4H-chromen-3-yl)methylidene]-4-imino-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one?
Yes, KEHONG BIO provides custom synthesis services for (3E)-3-[(6-chloro-4-oxo-4H-chromen-3-yl)methylidene]-4-imino-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.