![(E)-4-((8-ethoxy-4-imino-2-oxo-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-3(4H)-ylidene)methyl)benzoic acid structure](/static/products/899/899391-24-3.png)
(E)-4-((8-ethoxy-4-imino-2-oxo-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-3(4H)-ylidene)methyl)benzoic acid
TL;DR: (E)-4-((8-ethoxy-4-imino-2-oxo-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-3(4H)-ylidene)methyl)benzoic acid (CAS 899391-24-3) is a chemical compound with molecular formula C20H15N3O4S and molecular weight 393.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-(8-ethoxy-4-imino-2-oxopyrimido[2,1-b][1,3]benzothiazol-3-ylidene)methyl]benzoic acid
Also Known As: (E)-4-((8-ethoxy-4-imino-2-oxo-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-3(4H)-ylidene)methyl)benzoic acid, 4-[(E)-(8-ethoxy-4-iminio-2-oxo-2H-pyrimido[2,1-b][1,3]benzothiazol-3(4H)-ylidene)methyl]benzoate, 4-[(E)-(8-ethoxy-4-imino-2-oxopyrimido[2,1-b][1,3]benzothiazol-3-ylidene)methyl]benzoic acid
| Molecular Formula | C20H15N3O4S |
|---|---|
| Molecular Weight | 393.08 g/mol |
| LogP | 3.65267 |
| Topological Polar Surface Area | 103.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 393.07834 |
| Heavy Atoms | 28 |
| Complexity | 1073.3584 |
Chemical Identifiers
| CAS Number | 899391-24-3 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)N3C(=N)/C(=C\C4=CC=C(C=C4)C(=O)O)/C(=O)N=C3S2 |
Product Overview
(E)-4-((8-ethoxy-4-imino-2-oxo-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-3(4H)-ylidene)methyl)benzoic acid (CAS 899391-24-3), with molecular formula C20H15N3O4S and molecular weight 393.08 g/mol. IUPAC: 4-[(E)-(8-ethoxy-4-imino-2-oxopyrimido[2,1-b][1,3]benzothiazol-3-ylidene)methyl]benzoic acid.
Chemical Property Profile of (E)-4-((8-ethoxy-4-imino-2-oxo-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-3(4H)-ylidene)methyl)benzoic acid
Property Insights of (E)-4-((8-ethoxy-4-imino-2-oxo-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-3(4H)-ylidene)methyl)benzoic acid
The XLogP value of 3.65267 indicates that (E)-4-((8-ethoxy-4-imino-2-oxo-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-3(4H)-ylidene)methyl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.05 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-((8-ethoxy-4-imino-2-oxo-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-3(4H)-ylidene)methyl)benzoic acid. Following Lipinski's Rule of Five, (E)-4-((8-ethoxy-4-imino-2-oxo-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-3(4H)-ylidene)methyl)benzoic acid has 2 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)-4-((8-ethoxy-4-imino-2-oxo-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-3(4H)-ylidene)methyl)benzoic acid?
The CAS number of (E)-4-((8-ethoxy-4-imino-2-oxo-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-3(4H)-ylidene)methyl)benzoic acid is 899391-24-3.
What is the molecular formula of (E)-4-((8-ethoxy-4-imino-2-oxo-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-3(4H)-ylidene)methyl)benzoic acid?
The molecular formula of (E)-4-((8-ethoxy-4-imino-2-oxo-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-3(4H)-ylidene)methyl)benzoic acid is C20H15N3O4S.
What is the molecular weight of (E)-4-((8-ethoxy-4-imino-2-oxo-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-3(4H)-ylidene)methyl)benzoic acid?
The molecular weight of (E)-4-((8-ethoxy-4-imino-2-oxo-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-3(4H)-ylidene)methyl)benzoic acid is 393.08 g/mol.
Where can I buy (E)-4-((8-ethoxy-4-imino-2-oxo-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-3(4H)-ylidene)methyl)benzoic acid?
You can request a quote for (E)-4-((8-ethoxy-4-imino-2-oxo-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-3(4H)-ylidene)methyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-4-((8-ethoxy-4-imino-2-oxo-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-3(4H)-ylidene)methyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-((8-ethoxy-4-imino-2-oxo-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-3(4H)-ylidene)methyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.