![(E)-4-((5-imino-7-oxo-2-(pyridin-4-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)benzoic acid structure](/static/products/896/896842-34-5.png)
(E)-4-((5-imino-7-oxo-2-(pyridin-4-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)benzoic acid
TL;DR: (E)-4-((5-imino-7-oxo-2-(pyridin-4-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)benzoic acid (CAS 896842-34-5) is a chemical compound with molecular formula C18H11N5O3S and molecular weight 377.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-(5-imino-7-oxo-2-pyridin-4-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]benzoic acid
Also Known As: (E)-4-((5-imino-7-oxo-2-(pyridin-4-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)benzoic acid, 4-[(E)-(5-imino-7-oxo-2-pyridin-4-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]benzoic acid, 4-{(E)-[5-iminio-7-oxo-2-(pyridin-4-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene]methyl}benzoate
| Molecular Formula | C18H11N5O3S |
|---|---|
| Molecular Weight | 377.06 g/mol |
| LogP | 2.44727 |
| Topological Polar Surface Area | 119.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 377.05826 |
| Heavy Atoms | 27 |
| Complexity | 1058.1646 |
Chemical Identifiers
| CAS Number | 896842-34-5 |
|---|---|
| SMILES | C1=CC(=CC=C1/C=C/2\C(=N)N3C(=NC2=O)SC(=N3)C4=CC=NC=C4)C(=O)O |
Product Overview
(E)-4-((5-imino-7-oxo-2-(pyridin-4-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)benzoic acid (CAS 896842-34-5), with molecular formula C18H11N5O3S and molecular weight 377.06 g/mol. IUPAC: 4-[(E)-(5-imino-7-oxo-2-pyridin-4-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]benzoic acid.
Chemical Property Profile of (E)-4-((5-imino-7-oxo-2-(pyridin-4-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)benzoic acid
Property Insights of (E)-4-((5-imino-7-oxo-2-(pyridin-4-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)benzoic acid
The XLogP value of 2.44727 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-4-((5-imino-7-oxo-2-(pyridin-4-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)benzoic acid. The TPSA of 119.07 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-((5-imino-7-oxo-2-(pyridin-4-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)benzoic acid. Following Lipinski's Rule of Five, (E)-4-((5-imino-7-oxo-2-(pyridin-4-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)benzoic acid has 2 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)-4-((5-imino-7-oxo-2-(pyridin-4-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)benzoic acid?
The CAS number of (E)-4-((5-imino-7-oxo-2-(pyridin-4-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)benzoic acid is 896842-34-5.
What is the molecular formula of (E)-4-((5-imino-7-oxo-2-(pyridin-4-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)benzoic acid?
The molecular formula of (E)-4-((5-imino-7-oxo-2-(pyridin-4-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)benzoic acid is C18H11N5O3S.
What is the molecular weight of (E)-4-((5-imino-7-oxo-2-(pyridin-4-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)benzoic acid?
The molecular weight of (E)-4-((5-imino-7-oxo-2-(pyridin-4-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)benzoic acid is 377.06 g/mol.
Where can I buy (E)-4-((5-imino-7-oxo-2-(pyridin-4-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)benzoic acid?
You can request a quote for (E)-4-((5-imino-7-oxo-2-(pyridin-4-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-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-((5-imino-7-oxo-2-(pyridin-4-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-((5-imino-7-oxo-2-(pyridin-4-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.