![(E)-4-((4-imino-7,8-dimethyl-2-oxo-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-3(4H)-ylidene)methyl)benzoic acid structure](/static/products/900/900294-85-1.png)
(E)-4-((4-imino-7,8-dimethyl-2-oxo-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-3(4H)-ylidene)methyl)benzoic acid
TL;DR: (E)-4-((4-imino-7,8-dimethyl-2-oxo-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-3(4H)-ylidene)methyl)benzoic acid (CAS 900294-85-1) is a chemical compound with molecular formula C20H15N3O3S and molecular weight 377.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-(4-imino-7,8-dimethyl-2-oxopyrimido[2,1-b][1,3]benzothiazol-3-ylidene)methyl]benzoic acid
Also Known As: (E)-4-((4-imino-7,8-dimethyl-2-oxo-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-3(4H)-ylidene)methyl)benzoic acid, 4-[(E)-(4-iminio-7,8-dimethyl-2-oxo-2H-pyrimido[2,1-b][1,3]benzothiazol-3(4H)-ylidene)methyl]benzoate, 4-[(E)-(4-imino-7,8-dimethyl-2-oxopyrimido[2,1-b][1,3]benzothiazol-3-ylidene)methyl]benzoic acid
| Molecular Formula | C20H15N3O3S |
|---|---|
| Molecular Weight | 377.08 g/mol |
| LogP | 3.87081 |
| Topological Polar Surface Area | 93.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 377.0834 |
| Heavy Atoms | 27 |
| Complexity | 1084.396 |
Chemical Identifiers
| CAS Number | 900294-85-1 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)SC3=NC(=O)/C(=C/C4=CC=C(C=C4)C(=O)O)/C(=N)N23 |
Product Overview
(E)-4-((4-imino-7,8-dimethyl-2-oxo-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-3(4H)-ylidene)methyl)benzoic acid (CAS 900294-85-1), with molecular formula C20H15N3O3S and molecular weight 377.08 g/mol. IUPAC: 4-[(E)-(4-imino-7,8-dimethyl-2-oxopyrimido[2,1-b][1,3]benzothiazol-3-ylidene)methyl]benzoic acid.
Chemical Property Profile of (E)-4-((4-imino-7,8-dimethyl-2-oxo-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-3(4H)-ylidene)methyl)benzoic acid
Property Insights of (E)-4-((4-imino-7,8-dimethyl-2-oxo-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-3(4H)-ylidene)methyl)benzoic acid
The XLogP value of 3.87081 indicates that (E)-4-((4-imino-7,8-dimethyl-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 93.82 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-((4-imino-7,8-dimethyl-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-((4-imino-7,8-dimethyl-2-oxo-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-3(4H)-ylidene)methyl)benzoic acid has 2 hydrogen bond donor(s) and 4 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-((4-imino-7,8-dimethyl-2-oxo-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-3(4H)-ylidene)methyl)benzoic acid?
The CAS number of (E)-4-((4-imino-7,8-dimethyl-2-oxo-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-3(4H)-ylidene)methyl)benzoic acid is 900294-85-1.
What is the molecular formula of (E)-4-((4-imino-7,8-dimethyl-2-oxo-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-3(4H)-ylidene)methyl)benzoic acid?
The molecular formula of (E)-4-((4-imino-7,8-dimethyl-2-oxo-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-3(4H)-ylidene)methyl)benzoic acid is C20H15N3O3S.
What is the molecular weight of (E)-4-((4-imino-7,8-dimethyl-2-oxo-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-3(4H)-ylidene)methyl)benzoic acid?
The molecular weight of (E)-4-((4-imino-7,8-dimethyl-2-oxo-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-3(4H)-ylidene)methyl)benzoic acid is 377.08 g/mol.
Where can I buy (E)-4-((4-imino-7,8-dimethyl-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-((4-imino-7,8-dimethyl-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-((4-imino-7,8-dimethyl-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-((4-imino-7,8-dimethyl-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.