![(3E)-4-imino-7,8-dimethyl-3-[(4-oxo-4H-chromen-3-yl)methylidene]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one structure](/static/products/896/896817-98-4.png)
(3E)-4-imino-7,8-dimethyl-3-[(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-7,8-dimethyl-3-[(4-oxo-4H-chromen-3-yl)methylidene]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one (CAS 896817-98-4) is a chemical compound with molecular formula C22H15N3O3S and molecular weight 401.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3E)-4-imino-7,8-dimethyl-3-[(4-oxochromen-3-yl)methylidene]pyrimido[2,1-b][1,3]benzothiazol-2-one
Also Known As: (3E)-4-imino-7,8-dimethyl-3-[(4-oxo-4H-chromen-3-yl)methylidene]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one, (3E)-4-imino-7,8-dimethyl-3-[(4-oxochromen-3-yl)methylidene]pyrimido[2,1-b][1,3]benzothiazol-2-one, (E)-4-imino-7,8-dimethyl-3-((4-oxo-4H-chromen-3-yl)methylene)-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-one, 4-Imino-6,7-dimethyl-3-[1-(4-oxo-4H-chromen-3-yl)-meth-(E)-ylidene]-3,4-dihydro-9-thia-1,4a-diaza-fluoren-2-one
| Molecular Formula | C22H15N3O3S |
|---|---|
| Molecular Weight | 401.08 g/mol |
| LogP | 4.27901 |
| Topological Polar Surface Area | 86.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 401.0834 |
| Heavy Atoms | 29 |
| Complexity | 1367.4655 |
Chemical Identifiers
| CAS Number | 896817-98-4 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)SC3=NC(=O)/C(=C/C4=COC5=CC=CC=C5C4=O)/C(=N)N23 |
Product Overview
(3E)-4-imino-7,8-dimethyl-3-[(4-oxo-4H-chromen-3-yl)methylidene]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one (CAS 896817-98-4), with molecular formula C22H15N3O3S and molecular weight 401.08 g/mol. IUPAC: (3E)-4-imino-7,8-dimethyl-3-[(4-oxochromen-3-yl)methylidene]pyrimido[2,1-b][1,3]benzothiazol-2-one.
Chemical Property Profile of (3E)-4-imino-7,8-dimethyl-3-[(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-7,8-dimethyl-3-[(4-oxo-4H-chromen-3-yl)methylidene]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one
The XLogP value of 4.27901 indicates that (3E)-4-imino-7,8-dimethyl-3-[(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 86.73 Ų falls within the moderate polarity range, balancing permeability and solubility for (3E)-4-imino-7,8-dimethyl-3-[(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-7,8-dimethyl-3-[(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 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)-4-imino-7,8-dimethyl-3-[(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-7,8-dimethyl-3-[(4-oxo-4H-chromen-3-yl)methylidene]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one is 896817-98-4.
What is the molecular formula of (3E)-4-imino-7,8-dimethyl-3-[(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-7,8-dimethyl-3-[(4-oxo-4H-chromen-3-yl)methylidene]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one is C22H15N3O3S.
What is the molecular weight of (3E)-4-imino-7,8-dimethyl-3-[(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-7,8-dimethyl-3-[(4-oxo-4H-chromen-3-yl)methylidene]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one is 401.08 g/mol.
Where can I buy (3E)-4-imino-7,8-dimethyl-3-[(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-7,8-dimethyl-3-[(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-7,8-dimethyl-3-[(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-7,8-dimethyl-3-[(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.