![(Z)-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 2-chlorobenzoate structure](/static/products/847/847269-07-2.png)
(Z)-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 2-chlorobenzoate
TL;DR: (Z)-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 2-chlorobenzoate (CAS 847269-07-2) is a chemical compound with molecular formula C24H14ClN5O3S and molecular weight 487.05 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-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]phenyl] 2-chlorobenzoate
Also Known As: (Z)-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 2-chlorobenzoate, [4-[(Z)-(5-imino-7-oxo-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]phenyl] 2-chlorobenzoate, 4-{(Z)-[5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene]methyl}phenyl 2-chlorobenzoate
| Molecular Formula | C24H14ClN5O3S |
|---|---|
| Molecular Weight | 487.05 g/mol |
| LogP | 4.62167 |
| Topological Polar Surface Area | 108.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 487.0506 |
| Heavy Atoms | 34 |
| Complexity | 1418.0356 |
Chemical Identifiers
| CAS Number | 847269-07-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)OC2=CC=C(C=C2)/C=C\3/C(=N)N4C(=NC3=O)SC(=N4)C5=CN=CC=C5)Cl |
Product Overview
(Z)-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 2-chlorobenzoate (CAS 847269-07-2), with molecular formula C24H14ClN5O3S and molecular weight 487.05 g/mol. IUPAC: [4-[(Z)-(5-imino-7-oxo-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]phenyl] 2-chlorobenzoate.
Chemical Property Profile of (Z)-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 2-chlorobenzoate
Property Insights of (Z)-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 2-chlorobenzoate
The XLogP value of 4.62167 indicates that (Z)-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 2-chlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.07 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 2-chlorobenzoate. Following Lipinski's Rule of Five, (Z)-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 2-chlorobenzoate has 1 hydrogen bond donor(s) and 7 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 (Z)-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 2-chlorobenzoate?
The CAS number of (Z)-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 2-chlorobenzoate is 847269-07-2.
What is the molecular formula of (Z)-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 2-chlorobenzoate?
The molecular formula of (Z)-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 2-chlorobenzoate is C24H14ClN5O3S.
What is the molecular weight of (Z)-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 2-chlorobenzoate?
The molecular weight of (Z)-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 2-chlorobenzoate is 487.05 g/mol.
Where can I buy (Z)-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 2-chlorobenzoate?
You can request a quote for (Z)-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 2-chlorobenzoate 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-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 2-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 2-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.