![(E)-3-(4-(dimethylamino)benzylidene)-8-ethoxy-4-imino-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-one structure](/static/products/896/896829-72-4.png)
(E)-3-(4-(dimethylamino)benzylidene)-8-ethoxy-4-imino-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-one
TL;DR: (E)-3-(4-(dimethylamino)benzylidene)-8-ethoxy-4-imino-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-one (CAS 896829-72-4) is a chemical compound with molecular formula C21H20N4O2S and molecular weight 392.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3E)-3-[[4-(dimethylamino)phenyl]methylidene]-8-ethoxy-4-iminopyrimido[2,1-b][1,3]benzothiazol-2-one
Also Known As: (E)-3-(4-(dimethylamino)benzylidene)-8-ethoxy-4-imino-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-one, (3E)-3-[(4-dimethylaminophenyl)methylidene]-8-ethoxy-4-iminopyrimido[2,1-b][1,3]benzothiazol-2-one, (3E)-3-[4-(dimethylamino)benzylidene]-8-ethoxy-4-imino-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one
| Molecular Formula | C21H20N4O2S |
|---|---|
| Molecular Weight | 392.13 g/mol |
| LogP | 4.02047 |
| Topological Polar Surface Area | 68.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 392.1307 |
| Heavy Atoms | 28 |
| Complexity | 1025.2012 |
Chemical Identifiers
| CAS Number | 896829-72-4 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)N3C(=N)/C(=C\C4=CC=C(C=C4)N(C)C)/C(=O)N=C3S2 |
Product Overview
(E)-3-(4-(dimethylamino)benzylidene)-8-ethoxy-4-imino-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-one (CAS 896829-72-4), with molecular formula C21H20N4O2S and molecular weight 392.13 g/mol. IUPAC: (3E)-3-[[4-(dimethylamino)phenyl]methylidene]-8-ethoxy-4-iminopyrimido[2,1-b][1,3]benzothiazol-2-one.
Chemical Property Profile of (E)-3-(4-(dimethylamino)benzylidene)-8-ethoxy-4-imino-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-one
Property Insights of (E)-3-(4-(dimethylamino)benzylidene)-8-ethoxy-4-imino-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-one
The XLogP value of 4.02047 indicates that (E)-3-(4-(dimethylamino)benzylidene)-8-ethoxy-4-imino-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.99 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(4-(dimethylamino)benzylidene)-8-ethoxy-4-imino-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-one. Following Lipinski's Rule of Five, (E)-3-(4-(dimethylamino)benzylidene)-8-ethoxy-4-imino-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-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 (E)-3-(4-(dimethylamino)benzylidene)-8-ethoxy-4-imino-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-one?
The CAS number of (E)-3-(4-(dimethylamino)benzylidene)-8-ethoxy-4-imino-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-one is 896829-72-4.
What is the molecular formula of (E)-3-(4-(dimethylamino)benzylidene)-8-ethoxy-4-imino-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-one?
The molecular formula of (E)-3-(4-(dimethylamino)benzylidene)-8-ethoxy-4-imino-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-one is C21H20N4O2S.
What is the molecular weight of (E)-3-(4-(dimethylamino)benzylidene)-8-ethoxy-4-imino-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-one?
The molecular weight of (E)-3-(4-(dimethylamino)benzylidene)-8-ethoxy-4-imino-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-one is 392.13 g/mol.
Where can I buy (E)-3-(4-(dimethylamino)benzylidene)-8-ethoxy-4-imino-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-one?
You can request a quote for (E)-3-(4-(dimethylamino)benzylidene)-8-ethoxy-4-imino-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-(4-(dimethylamino)benzylidene)-8-ethoxy-4-imino-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(4-(dimethylamino)benzylidene)-8-ethoxy-4-imino-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.