![(Z)-2-bromo-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl thiophene-2-carboxylate structure](/static/products/847/847339-72-4.png)
(Z)-2-bromo-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl thiophene-2-carboxylate
TL;DR: (Z)-2-bromo-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl thiophene-2-carboxylate (CAS 847339-72-4) is a chemical compound with molecular formula C22H12BrN5O3S2 and molecular weight 536.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-bromo-4-[(Z)-(5-imino-7-oxo-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]phenyl] thiophene-2-carboxylate
Also Known As: (Z)-2-bromo-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl thiophene-2-carboxylate, [2-bromo-4-[(Z)-(5-imino-7-oxo-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]phenyl] thiophene-2-carboxylate, 2-bromo-4-{(Z)-[5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene]methyl}phenyl thiophene-2-carboxylate
| Molecular Formula | C22H12BrN5O3S2 |
|---|---|
| Molecular Weight | 536.96 g/mol |
| LogP | 4.79227 |
| Topological Polar Surface Area | 108.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 536.9565 |
| Heavy Atoms | 33 |
| Complexity | 1384.2775 |
Chemical Identifiers
| CAS Number | 847339-72-4 |
|---|---|
| SMILES | C1=CC(=CN=C1)C2=NN3C(=N)/C(=C/C4=CC(=C(C=C4)OC(=O)C5=CC=CS5)Br)/C(=O)N=C3S2 |
Product Overview
(Z)-2-bromo-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl thiophene-2-carboxylate (CAS 847339-72-4), with molecular formula C22H12BrN5O3S2 and molecular weight 536.96 g/mol. IUPAC: [2-bromo-4-[(Z)-(5-imino-7-oxo-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]phenyl] thiophene-2-carboxylate.
Chemical Property Profile of (Z)-2-bromo-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl thiophene-2-carboxylate
Property Insights of (Z)-2-bromo-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl thiophene-2-carboxylate
The XLogP value of 4.79227 indicates that (Z)-2-bromo-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl thiophene-2-carboxylate 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)-2-bromo-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl thiophene-2-carboxylate. Following Lipinski's Rule of Five, (Z)-2-bromo-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl thiophene-2-carboxylate 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-bromo-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl thiophene-2-carboxylate?
The CAS number of (Z)-2-bromo-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl thiophene-2-carboxylate is 847339-72-4.
What is the molecular formula of (Z)-2-bromo-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl thiophene-2-carboxylate?
The molecular formula of (Z)-2-bromo-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl thiophene-2-carboxylate is C22H12BrN5O3S2.
What is the molecular weight of (Z)-2-bromo-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl thiophene-2-carboxylate?
The molecular weight of (Z)-2-bromo-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl thiophene-2-carboxylate is 536.96 g/mol.
Where can I buy (Z)-2-bromo-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl thiophene-2-carboxylate?
You can request a quote for (Z)-2-bromo-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl thiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-2-bromo-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-2-bromo-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.