![4-{5-[(Z)-(5-imino-7-oxo-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]furan-2-yl}benzoic acid structure](/static/products/4048/404856-85-5.webp)
4-{5-[(Z)-(5-imino-7-oxo-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]furan-2-yl}benzoic acid
TL;DR: 4-{5-[(Z)-(5-imino-7-oxo-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]furan-2-yl}benzoic acid (CAS 404856-85-5) is a chemical compound with molecular formula C23H14N4O4S and molecular weight 442.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-[(Z)-(5-imino-7-oxo-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]furan-2-yl]benzoic acid
Also Known As: 4-{5-[(Z)-(5-imino-7-oxo-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]furan-2-yl}benzoic acid, (Z)-4-(5-((5-imino-7-oxo-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoic acid, 4-[5-[(Z)-(5-imino-7-oxo-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]furan-2-yl]benzoic acid
| Molecular Formula | C23H14N4O4S |
|---|---|
| Molecular Weight | 442.07 g/mol |
| LogP | 4.31227 |
| Topological Polar Surface Area | 119.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 442.07358 |
| Heavy Atoms | 32 |
| Complexity | 1354.148 |
Chemical Identifiers
| CAS Number | 404856-85-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NN3C(=N)/C(=C/C4=CC=C(O4)C5=CC=C(C=C5)C(=O)O)/C(=O)N=C3S2 |
Product Overview
4-{5-[(Z)-(5-imino-7-oxo-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]furan-2-yl}benzoic acid (CAS 404856-85-5), with molecular formula C23H14N4O4S and molecular weight 442.07 g/mol. IUPAC: 4-[5-[(Z)-(5-imino-7-oxo-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]furan-2-yl]benzoic acid.
Chemical Property Profile of 4-{5-[(Z)-(5-imino-7-oxo-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]furan-2-yl}benzoic acid
Property Insights of 4-{5-[(Z)-(5-imino-7-oxo-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]furan-2-yl}benzoic acid
The XLogP value of 4.31227 indicates that 4-{5-[(Z)-(5-imino-7-oxo-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]furan-2-yl}benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.32 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{5-[(Z)-(5-imino-7-oxo-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]furan-2-yl}benzoic acid. Following Lipinski's Rule of Five, 4-{5-[(Z)-(5-imino-7-oxo-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]furan-2-yl}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 4-{5-[(Z)-(5-imino-7-oxo-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]furan-2-yl}benzoic acid?
The CAS number of 4-{5-[(Z)-(5-imino-7-oxo-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]furan-2-yl}benzoic acid is 404856-85-5.
What is the molecular formula of 4-{5-[(Z)-(5-imino-7-oxo-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]furan-2-yl}benzoic acid?
The molecular formula of 4-{5-[(Z)-(5-imino-7-oxo-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]furan-2-yl}benzoic acid is C23H14N4O4S.
What is the molecular weight of 4-{5-[(Z)-(5-imino-7-oxo-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]furan-2-yl}benzoic acid?
The molecular weight of 4-{5-[(Z)-(5-imino-7-oxo-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]furan-2-yl}benzoic acid is 442.07 g/mol.
Where can I buy 4-{5-[(Z)-(5-imino-7-oxo-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]furan-2-yl}benzoic acid?
You can request a quote for 4-{5-[(Z)-(5-imino-7-oxo-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]furan-2-yl}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{5-[(Z)-(5-imino-7-oxo-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]furan-2-yl}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{5-[(Z)-(5-imino-7-oxo-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]furan-2-yl}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.