![(3E)-4-imino-3-[(6-methoxy-4-oxo-4H-chromen-3-yl)methylidene]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one structure](/static/products/896/896845-49-1.png)
(3E)-4-imino-3-[(6-methoxy-4-oxo-4H-chromen-3-yl)methylidene]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one
TL;DR: (3E)-4-imino-3-[(6-methoxy-4-oxo-4H-chromen-3-yl)methylidene]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one (CAS 896845-49-1) is a chemical compound with molecular formula C21H13N3O4S and molecular weight 403.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3E)-4-imino-3-[(6-methoxy-4-oxochromen-3-yl)methylidene]pyrimido[2,1-b][1,3]benzothiazol-2-one
Also Known As: (3E)-4-imino-3-[(6-methoxy-4-oxo-4H-chromen-3-yl)methylidene]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one, (3E)-4-imino-3-[(6-methoxy-4-oxochromen-3-yl)methylidene]pyrimido[2,1-b][1,3]benzothiazol-2-one, (E)-4-imino-3-((6-methoxy-4-oxo-4H-chromen-3-yl)methylene)-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-one
| Molecular Formula | C21H13N3O4S |
|---|---|
| Molecular Weight | 403.06 g/mol |
| LogP | 3.67077 |
| Topological Polar Surface Area | 95.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 403.06268 |
| Heavy Atoms | 29 |
| Complexity | 1339.2507 |
Chemical Identifiers
| CAS Number | 896845-49-1 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)OC=C(C2=O)/C=C/3\C(=N)N4C5=CC=CC=C5SC4=NC3=O |
Product Overview
(3E)-4-imino-3-[(6-methoxy-4-oxo-4H-chromen-3-yl)methylidene]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one (CAS 896845-49-1), with molecular formula C21H13N3O4S and molecular weight 403.06 g/mol. IUPAC: (3E)-4-imino-3-[(6-methoxy-4-oxochromen-3-yl)methylidene]pyrimido[2,1-b][1,3]benzothiazol-2-one.
Chemical Property Profile of (3E)-4-imino-3-[(6-methoxy-4-oxo-4H-chromen-3-yl)methylidene]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one
Property Insights of (3E)-4-imino-3-[(6-methoxy-4-oxo-4H-chromen-3-yl)methylidene]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one
The XLogP value of 3.67077 indicates that (3E)-4-imino-3-[(6-methoxy-4-oxo-4H-chromen-3-yl)methylidene]-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 95.96 Ų falls within the moderate polarity range, balancing permeability and solubility for (3E)-4-imino-3-[(6-methoxy-4-oxo-4H-chromen-3-yl)methylidene]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one. Following Lipinski's Rule of Five, (3E)-4-imino-3-[(6-methoxy-4-oxo-4H-chromen-3-yl)methylidene]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-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 (3E)-4-imino-3-[(6-methoxy-4-oxo-4H-chromen-3-yl)methylidene]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one?
The CAS number of (3E)-4-imino-3-[(6-methoxy-4-oxo-4H-chromen-3-yl)methylidene]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one is 896845-49-1.
What is the molecular formula of (3E)-4-imino-3-[(6-methoxy-4-oxo-4H-chromen-3-yl)methylidene]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one?
The molecular formula of (3E)-4-imino-3-[(6-methoxy-4-oxo-4H-chromen-3-yl)methylidene]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one is C21H13N3O4S.
What is the molecular weight of (3E)-4-imino-3-[(6-methoxy-4-oxo-4H-chromen-3-yl)methylidene]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one?
The molecular weight of (3E)-4-imino-3-[(6-methoxy-4-oxo-4H-chromen-3-yl)methylidene]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one is 403.06 g/mol.
Where can I buy (3E)-4-imino-3-[(6-methoxy-4-oxo-4H-chromen-3-yl)methylidene]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one?
You can request a quote for (3E)-4-imino-3-[(6-methoxy-4-oxo-4H-chromen-3-yl)methylidene]-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)-4-imino-3-[(6-methoxy-4-oxo-4H-chromen-3-yl)methylidene]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one?
Yes, KEHONG BIO provides custom synthesis services for (3E)-4-imino-3-[(6-methoxy-4-oxo-4H-chromen-3-yl)methylidene]-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.