![(6Z)-5-imino-6-[[3-methoxy-4-[(2-nitrophenyl)methoxy]phenyl]methylidene]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one structure](/static/products/586/586997-82-2.png)
(6Z)-5-imino-6-[[3-methoxy-4-[(2-nitrophenyl)methoxy]phenyl]methylidene]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
TL;DR: (6Z)-5-imino-6-[[3-methoxy-4-[(2-nitrophenyl)methoxy]phenyl]methylidene]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (CAS 586997-82-2) is a chemical compound with molecular formula C25H18N6O5S and molecular weight 514.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6Z)-5-imino-6-[[3-methoxy-4-[(2-nitrophenyl)methoxy]phenyl]methylidene]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (6Z)-5-imino-6-[[3-methoxy-4-[(2-nitrophenyl)methoxy]phenyl]methylidene]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (6Z)-5-imino-6-{3-methoxy-4-[(2-nitrobenzyl)oxy]benzylidene}-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (Z)-5-imino-6-(3-methoxy-4-((2-nitrobenzyl)oxy)benzylidene)-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
| Molecular Formula | C25H18N6O5S |
|---|---|
| Molecular Weight | 514.11 g/mol |
| LogP | 4.24487 |
| Topological Polar Surface Area | 143.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 514.10596 |
| Heavy Atoms | 37 |
| Complexity | 1518.9617 |
Chemical Identifiers
| CAS Number | 586997-82-2 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C\2/C(=N)N3C(=NC2=O)SC(=N3)C4=CN=CC=C4)OCC5=CC=CC=C5[N+](=O)[O-] |
Product Overview
(6Z)-5-imino-6-[[3-methoxy-4-[(2-nitrophenyl)methoxy]phenyl]methylidene]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (CAS 586997-82-2), with molecular formula C25H18N6O5S and molecular weight 514.11 g/mol. IUPAC: (6Z)-5-imino-6-[[3-methoxy-4-[(2-nitrophenyl)methoxy]phenyl]methylidene]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of (6Z)-5-imino-6-[[3-methoxy-4-[(2-nitrophenyl)methoxy]phenyl]methylidene]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Property Insights of (6Z)-5-imino-6-[[3-methoxy-4-[(2-nitrophenyl)methoxy]phenyl]methylidene]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
The XLogP value of 4.24487 indicates that (6Z)-5-imino-6-[[3-methoxy-4-[(2-nitrophenyl)methoxy]phenyl]methylidene]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 143.37 Ų indicates high polarity, suggesting (6Z)-5-imino-6-[[3-methoxy-4-[(2-nitrophenyl)methoxy]phenyl]methylidene]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (6Z)-5-imino-6-[[3-methoxy-4-[(2-nitrophenyl)methoxy]phenyl]methylidene]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one 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 (6Z)-5-imino-6-[[3-methoxy-4-[(2-nitrophenyl)methoxy]phenyl]methylidene]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The CAS number of (6Z)-5-imino-6-[[3-methoxy-4-[(2-nitrophenyl)methoxy]phenyl]methylidene]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is 586997-82-2.
What is the molecular formula of (6Z)-5-imino-6-[[3-methoxy-4-[(2-nitrophenyl)methoxy]phenyl]methylidene]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The molecular formula of (6Z)-5-imino-6-[[3-methoxy-4-[(2-nitrophenyl)methoxy]phenyl]methylidene]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is C25H18N6O5S.
What is the molecular weight of (6Z)-5-imino-6-[[3-methoxy-4-[(2-nitrophenyl)methoxy]phenyl]methylidene]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The molecular weight of (6Z)-5-imino-6-[[3-methoxy-4-[(2-nitrophenyl)methoxy]phenyl]methylidene]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is 514.11 g/mol.
Where can I buy (6Z)-5-imino-6-[[3-methoxy-4-[(2-nitrophenyl)methoxy]phenyl]methylidene]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
You can request a quote for (6Z)-5-imino-6-[[3-methoxy-4-[(2-nitrophenyl)methoxy]phenyl]methylidene]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (6Z)-5-imino-6-[[3-methoxy-4-[(2-nitrophenyl)methoxy]phenyl]methylidene]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
Yes, KEHONG BIO provides custom synthesis services for (6Z)-5-imino-6-[[3-methoxy-4-[(2-nitrophenyl)methoxy]phenyl]methylidene]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.