![(Z)-4-((5-imino-7-oxo-2-(2-oxo-2-(piperidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 4-fluorobenzoate structure](/static/products/848/848732-45-6.png)
(Z)-4-((5-imino-7-oxo-2-(2-oxo-2-(piperidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 4-fluorobenzoate
TL;DR: (Z)-4-((5-imino-7-oxo-2-(2-oxo-2-(piperidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 4-fluorobenzoate (CAS 848732-45-6) is a chemical compound with molecular formula C26H22FN5O4S and molecular weight 519.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(Z)-[5-imino-7-oxo-2-(2-oxo-2-piperidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]phenyl] 4-fluorobenzoate
Also Known As: (Z)-4-((5-imino-7-oxo-2-(2-oxo-2-(piperidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 4-fluorobenzoate, [4-[(Z)-[5-imino-7-oxo-2-(2-oxo-2-piperidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]phenyl] 4-fluorobenzoate, 4-[(Z)-{5-imino-7-oxo-2-[2-oxo-2-(piperidin-1-yl)ethyl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene}methyl]phenyl 4-fluorobenzoate
| Molecular Formula | C26H22FN5O4S |
|---|---|
| Molecular Weight | 519.14 g/mol |
| LogP | 4.06667 |
| Topological Polar Surface Area | 115.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 519.13763 |
| Heavy Atoms | 37 |
| Complexity | 1362.3408 |
Chemical Identifiers
| CAS Number | 848732-45-6 |
|---|---|
| SMILES | C1CCN(CC1)C(=O)CC2=NN3C(=N)/C(=C/C4=CC=C(C=C4)OC(=O)C5=CC=C(C=C5)F)/C(=O)N=C3S2 |
Product Overview
(Z)-4-((5-imino-7-oxo-2-(2-oxo-2-(piperidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 4-fluorobenzoate (CAS 848732-45-6), with molecular formula C26H22FN5O4S and molecular weight 519.14 g/mol. IUPAC: [4-[(Z)-[5-imino-7-oxo-2-(2-oxo-2-piperidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]phenyl] 4-fluorobenzoate.
Chemical Property Profile of (Z)-4-((5-imino-7-oxo-2-(2-oxo-2-(piperidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 4-fluorobenzoate
Property Insights of (Z)-4-((5-imino-7-oxo-2-(2-oxo-2-(piperidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 4-fluorobenzoate
The XLogP value of 4.06667 indicates that (Z)-4-((5-imino-7-oxo-2-(2-oxo-2-(piperidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 4-fluorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.49 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-4-((5-imino-7-oxo-2-(2-oxo-2-(piperidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 4-fluorobenzoate. Following Lipinski's Rule of Five, (Z)-4-((5-imino-7-oxo-2-(2-oxo-2-(piperidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 4-fluorobenzoate has 1 hydrogen bond donor(s) and 7 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-imino-7-oxo-2-(2-oxo-2-(piperidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 4-fluorobenzoate?
The CAS number of (Z)-4-((5-imino-7-oxo-2-(2-oxo-2-(piperidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 4-fluorobenzoate is 848732-45-6.
What is the molecular formula of (Z)-4-((5-imino-7-oxo-2-(2-oxo-2-(piperidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 4-fluorobenzoate?
The molecular formula of (Z)-4-((5-imino-7-oxo-2-(2-oxo-2-(piperidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 4-fluorobenzoate is C26H22FN5O4S.
What is the molecular weight of (Z)-4-((5-imino-7-oxo-2-(2-oxo-2-(piperidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 4-fluorobenzoate?
The molecular weight of (Z)-4-((5-imino-7-oxo-2-(2-oxo-2-(piperidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 4-fluorobenzoate is 519.14 g/mol.
Where can I buy (Z)-4-((5-imino-7-oxo-2-(2-oxo-2-(piperidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 4-fluorobenzoate?
You can request a quote for (Z)-4-((5-imino-7-oxo-2-(2-oxo-2-(piperidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 4-fluorobenzoate 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-imino-7-oxo-2-(2-oxo-2-(piperidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 4-fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-4-((5-imino-7-oxo-2-(2-oxo-2-(piperidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 4-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.