![(E)-3-(3,5-dichloro-4-hydroxybenzylidene)-4-imino-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-one structure](/static/products/896/896841-30-8.png)
(E)-3-(3,5-dichloro-4-hydroxybenzylidene)-4-imino-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-one
TL;DR: (E)-3-(3,5-dichloro-4-hydroxybenzylidene)-4-imino-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-one (CAS 896841-30-8) is a chemical compound with molecular formula C17H9Cl2N3O2S and molecular weight 388.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-3-[(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]pyrimido[2,1-b][1,3]benzothiazol-2-one
Also Known As: (E)-3-(3,5-dichloro-4-hydroxybenzylidene)-4-imino-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-one, 2,6-dichloro-4-[(E)-(4-iminio-2-oxo-2H-pyrimido[2,1-b][1,3]benzothiazol-3(4H)-ylidene)methyl]phenolate, 4-amino-3-[(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]pyrimido[2,1-b][1,3]benzothiazol-2-one
| Molecular Formula | C17H9Cl2N3O2S |
|---|---|
| Molecular Weight | 388.98 g/mol |
| LogP | 3.7029 |
| Topological Polar Surface Area | 77.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 388.97925 |
| Heavy Atoms | 25 |
| Complexity | 1193.8219 |
Chemical Identifiers
| CAS Number | 896841-30-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N3C(=C(C(=O)N=C3S2)C=C4C=C(C(=O)C(=C4)Cl)Cl)N |
Product Overview
(E)-3-(3,5-dichloro-4-hydroxybenzylidene)-4-imino-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-one (CAS 896841-30-8), with molecular formula C17H9Cl2N3O2S and molecular weight 388.98 g/mol. IUPAC: 4-amino-3-[(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]pyrimido[2,1-b][1,3]benzothiazol-2-one.
Chemical Property Profile of (E)-3-(3,5-dichloro-4-hydroxybenzylidene)-4-imino-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-one
Property Insights of (E)-3-(3,5-dichloro-4-hydroxybenzylidene)-4-imino-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-one
The XLogP value of 3.7029 indicates that (E)-3-(3,5-dichloro-4-hydroxybenzylidene)-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 77.46 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(3,5-dichloro-4-hydroxybenzylidene)-4-imino-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-one. Following Lipinski's Rule of Five, (E)-3-(3,5-dichloro-4-hydroxybenzylidene)-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-(3,5-dichloro-4-hydroxybenzylidene)-4-imino-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-one?
The CAS number of (E)-3-(3,5-dichloro-4-hydroxybenzylidene)-4-imino-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-one is 896841-30-8.
What is the molecular formula of (E)-3-(3,5-dichloro-4-hydroxybenzylidene)-4-imino-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-one?
The molecular formula of (E)-3-(3,5-dichloro-4-hydroxybenzylidene)-4-imino-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-one is C17H9Cl2N3O2S.
What is the molecular weight of (E)-3-(3,5-dichloro-4-hydroxybenzylidene)-4-imino-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-one?
The molecular weight of (E)-3-(3,5-dichloro-4-hydroxybenzylidene)-4-imino-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-one is 388.98 g/mol.
Where can I buy (E)-3-(3,5-dichloro-4-hydroxybenzylidene)-4-imino-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-one?
You can request a quote for (E)-3-(3,5-dichloro-4-hydroxybenzylidene)-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-(3,5-dichloro-4-hydroxybenzylidene)-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-(3,5-dichloro-4-hydroxybenzylidene)-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.