![(E)-2-ethoxy-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 3-methoxybenzoate structure](/static/products/848/848062-86-2.png)
(E)-2-ethoxy-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 3-methoxybenzoate
TL;DR: (E)-2-ethoxy-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 3-methoxybenzoate (CAS 848062-86-2) is a chemical compound with molecular formula C27H21N5O5S and molecular weight 527.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-ethoxy-4-[(E)-(5-imino-7-oxo-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]phenyl] 3-methoxybenzoate
Also Known As: (E)-2-ethoxy-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 3-methoxybenzoate, [2-ethoxy-4-[(E)-(5-imino-7-oxo-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]phenyl] 3-methoxybenzoate, 2-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 3-methoxybenzoate
| Molecular Formula | C27H21N5O5S |
|---|---|
| Molecular Weight | 527.13 g/mol |
| LogP | 4.37557 |
| Topological Polar Surface Area | 126.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 527.12634 |
| Heavy Atoms | 38 |
| Complexity | 1533.8177 |
Chemical Identifiers
| CAS Number | 848062-86-2 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)/C=C/2\C(=N)N3C(=NC2=O)SC(=N3)C4=CN=CC=C4)OC(=O)C5=CC(=CC=C5)OC |
Product Overview
(E)-2-ethoxy-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 3-methoxybenzoate (CAS 848062-86-2), with molecular formula C27H21N5O5S and molecular weight 527.13 g/mol. IUPAC: [2-ethoxy-4-[(E)-(5-imino-7-oxo-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]phenyl] 3-methoxybenzoate.
Chemical Property Profile of (E)-2-ethoxy-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 3-methoxybenzoate
Property Insights of (E)-2-ethoxy-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 3-methoxybenzoate
The XLogP value of 4.37557 indicates that (E)-2-ethoxy-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 3-methoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.53 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-ethoxy-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 3-methoxybenzoate. Following Lipinski's Rule of Five, (E)-2-ethoxy-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 3-methoxybenzoate 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-ethoxy-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 3-methoxybenzoate?
The CAS number of (E)-2-ethoxy-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 3-methoxybenzoate is 848062-86-2.
What is the molecular formula of (E)-2-ethoxy-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 3-methoxybenzoate?
The molecular formula of (E)-2-ethoxy-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 3-methoxybenzoate is C27H21N5O5S.
What is the molecular weight of (E)-2-ethoxy-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 3-methoxybenzoate?
The molecular weight of (E)-2-ethoxy-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 3-methoxybenzoate is 527.13 g/mol.
Where can I buy (E)-2-ethoxy-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 3-methoxybenzoate?
You can request a quote for (E)-2-ethoxy-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 3-methoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-ethoxy-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 3-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-ethoxy-4-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 3-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.