![(Z)-2-chloro-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)-6-methoxyphenyl benzoate structure](/static/products/847/847854-83-5.png)
(Z)-2-chloro-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)-6-methoxyphenyl benzoate
TL;DR: (Z)-2-chloro-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)-6-methoxyphenyl benzoate (CAS 847854-83-5) is a chemical compound with molecular formula C25H16ClN5O4S and molecular weight 517.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-chloro-4-[(Z)-(5-imino-7-oxo-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]-6-methoxyphenyl] benzoate
Also Known As: (Z)-2-chloro-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)-6-methoxyphenyl benzoate, [2-chloro-4-[(Z)-(5-imino-7-oxo-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]-6-methoxyphenyl] benzoate, 2-chloro-4-{(Z)-[5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene]methyl}-6-methoxyphenyl benzoate
| Molecular Formula | C25H16ClN5O4S |
|---|---|
| Molecular Weight | 517.06 g/mol |
| LogP | 4.63027 |
| Topological Polar Surface Area | 117.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 517.06116 |
| Heavy Atoms | 36 |
| Complexity | 1489.0442 |
Chemical Identifiers
| CAS Number | 847854-83-5 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)/C=C\2/C(=N)N3C(=NC2=O)SC(=N3)C4=CN=CC=C4)Cl)OC(=O)C5=CC=CC=C5 |
Product Overview
(Z)-2-chloro-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)-6-methoxyphenyl benzoate (CAS 847854-83-5), with molecular formula C25H16ClN5O4S and molecular weight 517.06 g/mol. IUPAC: [2-chloro-4-[(Z)-(5-imino-7-oxo-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]-6-methoxyphenyl] benzoate.
Chemical Property Profile of (Z)-2-chloro-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)-6-methoxyphenyl benzoate
Property Insights of (Z)-2-chloro-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)-6-methoxyphenyl benzoate
The XLogP value of 4.63027 indicates that (Z)-2-chloro-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)-6-methoxyphenyl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-2-chloro-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)-6-methoxyphenyl benzoate. Following Lipinski's Rule of Five, (Z)-2-chloro-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)-6-methoxyphenyl benzoate has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (Z)-2-chloro-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)-6-methoxyphenyl benzoate?
The CAS number of (Z)-2-chloro-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)-6-methoxyphenyl benzoate is 847854-83-5.
What is the molecular formula of (Z)-2-chloro-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)-6-methoxyphenyl benzoate?
The molecular formula of (Z)-2-chloro-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)-6-methoxyphenyl benzoate is C25H16ClN5O4S.
What is the molecular weight of (Z)-2-chloro-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)-6-methoxyphenyl benzoate?
The molecular weight of (Z)-2-chloro-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)-6-methoxyphenyl benzoate is 517.06 g/mol.
Where can I buy (Z)-2-chloro-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)-6-methoxyphenyl benzoate?
You can request a quote for (Z)-2-chloro-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)-6-methoxyphenyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-2-chloro-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)-6-methoxyphenyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-2-chloro-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)-6-methoxyphenyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.