![(E)-2-chloro-6-ethoxy-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/849/849026-51-3.png)
(E)-2-chloro-6-ethoxy-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: (E)-2-chloro-6-ethoxy-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 849026-51-3) is a chemical compound with molecular formula C24H16ClN5O4S2 and molecular weight 537.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-chloro-6-ethoxy-4-[(E)-(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: (E)-2-chloro-6-ethoxy-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-chloro-6-ethoxy-4-[(E)-(5-imino-7-oxo-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]phenyl] thiophene-2-carboxylate, 2-chloro-6-ethoxy-4-{(E)-[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 | C24H16ClN5O4S2 |
|---|---|
| Molecular Weight | 537.03 g/mol |
| LogP | 5.08187 |
| Topological Polar Surface Area | 117.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 537.0332 |
| Heavy Atoms | 36 |
| Complexity | 1469.1222 |
Chemical Identifiers
| CAS Number | 849026-51-3 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)/C=C/2\C(=N)N3C(=NC2=O)SC(=N3)C4=CN=CC=C4)Cl)OC(=O)C5=CC=CS5 |
Product Overview
(E)-2-chloro-6-ethoxy-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 849026-51-3), with molecular formula C24H16ClN5O4S2 and molecular weight 537.03 g/mol. IUPAC: [2-chloro-6-ethoxy-4-[(E)-(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 (E)-2-chloro-6-ethoxy-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 (E)-2-chloro-6-ethoxy-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 5.08187 indicates that (E)-2-chloro-6-ethoxy-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 117.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-chloro-6-ethoxy-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, (E)-2-chloro-6-ethoxy-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 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-2-chloro-6-ethoxy-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 (E)-2-chloro-6-ethoxy-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 849026-51-3.
What is the molecular formula of (E)-2-chloro-6-ethoxy-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 (E)-2-chloro-6-ethoxy-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 C24H16ClN5O4S2.
What is the molecular weight of (E)-2-chloro-6-ethoxy-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 (E)-2-chloro-6-ethoxy-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 537.03 g/mol.
Where can I buy (E)-2-chloro-6-ethoxy-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 (E)-2-chloro-6-ethoxy-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 (E)-2-chloro-6-ethoxy-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 (E)-2-chloro-6-ethoxy-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.