![(E)-3-(4-hydroxybenzylidene)-4-imino-8-(methylsulfonyl)-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-one structure](/static/products/896/896840-85-0.png)
(E)-3-(4-hydroxybenzylidene)-4-imino-8-(methylsulfonyl)-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-one
TL;DR: (E)-3-(4-hydroxybenzylidene)-4-imino-8-(methylsulfonyl)-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-one (CAS 896840-85-0) is a chemical compound with molecular formula C18H13N3O4S2 and molecular weight 399.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-8-methylsulfonyl-3-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]pyrimido[2,1-b][1,3]benzothiazol-2-one
Also Known As: (E)-3-(4-hydroxybenzylidene)-4-imino-8-(methylsulfonyl)-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-one, 4-{(Z)-[4-iminio-8-(methylsulfonyl)-2-oxo-2H-pyrimido[2,1-b][1,3]benzothiazol-3(4H)-ylidene]methyl}phenolate, 4-amino-8-methylsulfonyl-3-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]pyrimido[2,1-b][1,3]benzothiazol-2-one
| Molecular Formula | C18H13N3O4S2 |
|---|---|
| Molecular Weight | 399.03 g/mol |
| LogP | 1.9734 |
| Topological Polar Surface Area | 111.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 399.03476 |
| Heavy Atoms | 27 |
| Complexity | 1371.4811 |
Chemical Identifiers
| CAS Number | 896840-85-0 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC2=C(C=C1)N3C(=C(C(=O)N=C3S2)C=C4C=CC(=O)C=C4)N |
Product Overview
(E)-3-(4-hydroxybenzylidene)-4-imino-8-(methylsulfonyl)-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-one (CAS 896840-85-0), with molecular formula C18H13N3O4S2 and molecular weight 399.03 g/mol. IUPAC: 4-amino-8-methylsulfonyl-3-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]pyrimido[2,1-b][1,3]benzothiazol-2-one.
Chemical Property Profile of (E)-3-(4-hydroxybenzylidene)-4-imino-8-(methylsulfonyl)-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-one
Property Insights of (E)-3-(4-hydroxybenzylidene)-4-imino-8-(methylsulfonyl)-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-one
The XLogP value of 1.9734 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-(4-hydroxybenzylidene)-4-imino-8-(methylsulfonyl)-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-one. The TPSA of 111.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(4-hydroxybenzylidene)-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-hydroxybenzylidene)-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 7 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-hydroxybenzylidene)-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-hydroxybenzylidene)-4-imino-8-(methylsulfonyl)-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-one is 896840-85-0.
What is the molecular formula of (E)-3-(4-hydroxybenzylidene)-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-hydroxybenzylidene)-4-imino-8-(methylsulfonyl)-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-one is C18H13N3O4S2.
What is the molecular weight of (E)-3-(4-hydroxybenzylidene)-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-hydroxybenzylidene)-4-imino-8-(methylsulfonyl)-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-one is 399.03 g/mol.
Where can I buy (E)-3-(4-hydroxybenzylidene)-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-hydroxybenzylidene)-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-hydroxybenzylidene)-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-hydroxybenzylidene)-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.