![(3Z)-4-imino-7,8-dimethyl-3-[(5-nitrofuran-2-yl)methylidene]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one structure](/static/products/892/892619-45-3.png)
(3Z)-4-imino-7,8-dimethyl-3-[(5-nitrofuran-2-yl)methylidene]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one
TL;DR: (3Z)-4-imino-7,8-dimethyl-3-[(5-nitrofuran-2-yl)methylidene]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one (CAS 892619-45-3) is a chemical compound with molecular formula C17H12N4O4S and molecular weight 368.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3Z)-4-imino-7,8-dimethyl-3-[(5-nitrofuran-2-yl)methylidene]pyrimido[2,1-b][1,3]benzothiazol-2-one
Also Known As: (3Z)-4-imino-7,8-dimethyl-3-[(5-nitrofuran-2-yl)methylidene]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one, (3Z)-4-imino-7,8-dimethyl-3-[(5-nitrofuran-2-yl)methylidene]pyrimido[2,1-b][1,3]benzothiazol-2-one, (Z)-4-imino-7,8-dimethyl-3-((5-nitrofuran-2-yl)methylene)-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-one
| Molecular Formula | C17H12N4O4S |
|---|---|
| Molecular Weight | 368.06 g/mol |
| LogP | 3.67381 |
| Topological Polar Surface Area | 112.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 368.05792 |
| Heavy Atoms | 26 |
| Complexity | 1066.7103 |
Chemical Identifiers
| CAS Number | 892619-45-3 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)SC3=NC(=O)/C(=C\C4=CC=C(O4)[N+](=O)[O-])/C(=N)N23 |
Product Overview
(3Z)-4-imino-7,8-dimethyl-3-[(5-nitrofuran-2-yl)methylidene]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one (CAS 892619-45-3), with molecular formula C17H12N4O4S and molecular weight 368.06 g/mol. IUPAC: (3Z)-4-imino-7,8-dimethyl-3-[(5-nitrofuran-2-yl)methylidene]pyrimido[2,1-b][1,3]benzothiazol-2-one.
Chemical Property Profile of (3Z)-4-imino-7,8-dimethyl-3-[(5-nitrofuran-2-yl)methylidene]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one
Property Insights of (3Z)-4-imino-7,8-dimethyl-3-[(5-nitrofuran-2-yl)methylidene]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one
The XLogP value of 3.67381 indicates that (3Z)-4-imino-7,8-dimethyl-3-[(5-nitrofuran-2-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 112.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (3Z)-4-imino-7,8-dimethyl-3-[(5-nitrofuran-2-yl)methylidene]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one. Following Lipinski's Rule of Five, (3Z)-4-imino-7,8-dimethyl-3-[(5-nitrofuran-2-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 (3Z)-4-imino-7,8-dimethyl-3-[(5-nitrofuran-2-yl)methylidene]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one?
The CAS number of (3Z)-4-imino-7,8-dimethyl-3-[(5-nitrofuran-2-yl)methylidene]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one is 892619-45-3.
What is the molecular formula of (3Z)-4-imino-7,8-dimethyl-3-[(5-nitrofuran-2-yl)methylidene]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one?
The molecular formula of (3Z)-4-imino-7,8-dimethyl-3-[(5-nitrofuran-2-yl)methylidene]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one is C17H12N4O4S.
What is the molecular weight of (3Z)-4-imino-7,8-dimethyl-3-[(5-nitrofuran-2-yl)methylidene]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one?
The molecular weight of (3Z)-4-imino-7,8-dimethyl-3-[(5-nitrofuran-2-yl)methylidene]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one is 368.06 g/mol.
Where can I buy (3Z)-4-imino-7,8-dimethyl-3-[(5-nitrofuran-2-yl)methylidene]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one?
You can request a quote for (3Z)-4-imino-7,8-dimethyl-3-[(5-nitrofuran-2-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 (3Z)-4-imino-7,8-dimethyl-3-[(5-nitrofuran-2-yl)methylidene]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one?
Yes, KEHONG BIO provides custom synthesis services for (3Z)-4-imino-7,8-dimethyl-3-[(5-nitrofuran-2-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.