![(Z)-4-(5-((2-(4-chlorobenzyl)-5-imino-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoic acid structure](/static/products/845/845798-71-2.png)
(Z)-4-(5-((2-(4-chlorobenzyl)-5-imino-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoic acid
TL;DR: (Z)-4-(5-((2-(4-chlorobenzyl)-5-imino-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoic acid (CAS 845798-71-2) is a chemical compound with molecular formula C24H15ClN4O4S and molecular weight 490.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-[(Z)-[2-[(4-chlorophenyl)methyl]-5-imino-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]furan-2-yl]benzoic acid
Also Known As: (Z)-4-(5-((2-(4-chlorobenzyl)-5-imino-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoic acid, 4-(5-{(Z)-[2-(4-chlorobenzyl)-5-iminio-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene]methyl}furan-2-yl)benzoate, 4-[5-[(Z)-[2-[(4-chlorophenyl)methyl]-5-imino-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]furan-2-yl]benzoic acid
| Molecular Formula | C24H15ClN4O4S |
|---|---|
| Molecular Weight | 490.05 g/mol |
| LogP | 5.16007 |
| Topological Polar Surface Area | 119.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 490.05026 |
| Heavy Atoms | 34 |
| Complexity | 1421.9095 |
Chemical Identifiers
| CAS Number | 845798-71-2 |
|---|---|
| SMILES | C1=CC(=CC=C1CC2=NN3C(=N)/C(=C/C4=CC=C(O4)C5=CC=C(C=C5)C(=O)O)/C(=O)N=C3S2)Cl |
Product Overview
(Z)-4-(5-((2-(4-chlorobenzyl)-5-imino-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoic acid (CAS 845798-71-2), with molecular formula C24H15ClN4O4S and molecular weight 490.05 g/mol. IUPAC: 4-[5-[(Z)-[2-[(4-chlorophenyl)methyl]-5-imino-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]furan-2-yl]benzoic acid.
Chemical Property Profile of (Z)-4-(5-((2-(4-chlorobenzyl)-5-imino-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoic acid
Property Insights of (Z)-4-(5-((2-(4-chlorobenzyl)-5-imino-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoic acid
The XLogP value of 5.16007 indicates that (Z)-4-(5-((2-(4-chlorobenzyl)-5-imino-7-oxo-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 (Z)-4-(5-((2-(4-chlorobenzyl)-5-imino-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoic acid. Following Lipinski's Rule of Five, (Z)-4-(5-((2-(4-chlorobenzyl)-5-imino-7-oxo-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), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (Z)-4-(5-((2-(4-chlorobenzyl)-5-imino-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoic acid?
The CAS number of (Z)-4-(5-((2-(4-chlorobenzyl)-5-imino-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoic acid is 845798-71-2.
What is the molecular formula of (Z)-4-(5-((2-(4-chlorobenzyl)-5-imino-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoic acid?
The molecular formula of (Z)-4-(5-((2-(4-chlorobenzyl)-5-imino-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoic acid is C24H15ClN4O4S.
What is the molecular weight of (Z)-4-(5-((2-(4-chlorobenzyl)-5-imino-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoic acid?
The molecular weight of (Z)-4-(5-((2-(4-chlorobenzyl)-5-imino-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoic acid is 490.05 g/mol.
Where can I buy (Z)-4-(5-((2-(4-chlorobenzyl)-5-imino-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoic acid?
You can request a quote for (Z)-4-(5-((2-(4-chlorobenzyl)-5-imino-7-oxo-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 (Z)-4-(5-((2-(4-chlorobenzyl)-5-imino-7-oxo-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 (Z)-4-(5-((2-(4-chlorobenzyl)-5-imino-7-oxo-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.