![(E)-3-(4-(dimethylamino)benzylidene)-4-imino-8-(methylsulfonyl)-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-one structure](/static/products/900/900285-98-5.png)
(E)-3-(4-(dimethylamino)benzylidene)-4-imino-8-(methylsulfonyl)-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-one
TL;DR: (E)-3-(4-(dimethylamino)benzylidene)-4-imino-8-(methylsulfonyl)-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-one (CAS 900285-98-5) is a chemical compound with molecular formula C20H18N4O3S2 and molecular weight 426.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3E)-3-[[4-(dimethylamino)phenyl]methylidene]-4-imino-8-methylsulfonylpyrimido[2,1-b][1,3]benzothiazol-2-one
Also Known As: (E)-3-(4-(dimethylamino)benzylidene)-4-imino-8-(methylsulfonyl)-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-one, (3E)-3-[(4-dimethylaminophenyl)methylidene]-4-imino-8-methylsulfonylpyrimido[2,1-b][1,3]benzothiazol-2-one, (3E)-3-[4-(dimethylamino)benzylidene]-4-imino-8-(methylsulfonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one, 3-[1-(4-Dimethylamino-phenyl)-meth-(E)-ylidene]-4-imino-7-methanesulfonyl-3,4-dihydro-9-thia-1,4a-di aza-fluoren-2-one
| Molecular Formula | C20H18N4O3S2 |
|---|---|
| Molecular Weight | 426.08 g/mol |
| LogP | 3.02527 |
| Topological Polar Surface Area | 93.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 426.08203 |
| Heavy Atoms | 29 |
| Complexity | 1212.7875 |
Chemical Identifiers
| CAS Number | 900285-98-5 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)/C=C/2\C(=N)N3C4=C(C=C(C=C4)S(=O)(=O)C)SC3=NC2=O |
Product Overview
(E)-3-(4-(dimethylamino)benzylidene)-4-imino-8-(methylsulfonyl)-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-one (CAS 900285-98-5), with molecular formula C20H18N4O3S2 and molecular weight 426.08 g/mol. IUPAC: (3E)-3-[[4-(dimethylamino)phenyl]methylidene]-4-imino-8-methylsulfonylpyrimido[2,1-b][1,3]benzothiazol-2-one.
Chemical Property Profile of (E)-3-(4-(dimethylamino)benzylidene)-4-imino-8-(methylsulfonyl)-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-one
Property Insights of (E)-3-(4-(dimethylamino)benzylidene)-4-imino-8-(methylsulfonyl)-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-one
The XLogP value of 3.02527 indicates that (E)-3-(4-(dimethylamino)benzylidene)-4-imino-8-(methylsulfonyl)-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 93.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(4-(dimethylamino)benzylidene)-4-imino-8-(methylsulfonyl)-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)-4-imino-8-(methylsulfonyl)-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-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 (E)-3-(4-(dimethylamino)benzylidene)-4-imino-8-(methylsulfonyl)-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-one?
The CAS number of (E)-3-(4-(dimethylamino)benzylidene)-4-imino-8-(methylsulfonyl)-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-one is 900285-98-5.
What is the molecular formula of (E)-3-(4-(dimethylamino)benzylidene)-4-imino-8-(methylsulfonyl)-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-one?
The molecular formula of (E)-3-(4-(dimethylamino)benzylidene)-4-imino-8-(methylsulfonyl)-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-one is C20H18N4O3S2.
What is the molecular weight of (E)-3-(4-(dimethylamino)benzylidene)-4-imino-8-(methylsulfonyl)-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-one?
The molecular weight of (E)-3-(4-(dimethylamino)benzylidene)-4-imino-8-(methylsulfonyl)-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-one is 426.08 g/mol.
Where can I buy (E)-3-(4-(dimethylamino)benzylidene)-4-imino-8-(methylsulfonyl)-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)-4-imino-8-(methylsulfonyl)-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)-4-imino-8-(methylsulfonyl)-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)-4-imino-8-(methylsulfonyl)-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.