![(6Z)-6-[[3-chloro-4-[(2-methylphenyl)methoxy]phenyl]methylidene]-5-imino-2-(2-oxo-2-piperidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one structure](/static/products/845/845809-48-5.png)
(6Z)-6-[[3-chloro-4-[(2-methylphenyl)methoxy]phenyl]methylidene]-5-imino-2-(2-oxo-2-piperidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
TL;DR: (6Z)-6-[[3-chloro-4-[(2-methylphenyl)methoxy]phenyl]methylidene]-5-imino-2-(2-oxo-2-piperidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (CAS 845809-48-5) is a chemical compound with molecular formula C27H26ClN5O3S and molecular weight 535.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6Z)-6-[[3-chloro-4-[(2-methylphenyl)methoxy]phenyl]methylidene]-5-imino-2-(2-oxo-2-piperidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (6Z)-6-[[3-chloro-4-[(2-methylphenyl)methoxy]phenyl]methylidene]-5-imino-2-(2-oxo-2-piperidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (6Z)-6-{3-chloro-4-[(2-methylbenzyl)oxy]benzylidene}-5-imino-2-[2-oxo-2-(piperidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (Z)-6-(3-chloro-4-((2-methylbenzyl)oxy)benzylidene)-5-imino-2-(2-oxo-2-(piperidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
| Molecular Formula | C27H26ClN5O3S |
|---|---|
| Molecular Weight | 535.14 g/mol |
| LogP | 5.24919 |
| Topological Polar Surface Area | 98.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 535.1445 |
| Heavy Atoms | 37 |
| Complexity | 1363.5603 |
Chemical Identifiers
| CAS Number | 845809-48-5 |
|---|---|
| SMILES | CC1=CC=CC=C1COC2=C(C=C(C=C2)/C=C\3/C(=N)N4C(=NC3=O)SC(=N4)CC(=O)N5CCCCC5)Cl |
Product Overview
(6Z)-6-[[3-chloro-4-[(2-methylphenyl)methoxy]phenyl]methylidene]-5-imino-2-(2-oxo-2-piperidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (CAS 845809-48-5), with molecular formula C27H26ClN5O3S and molecular weight 535.14 g/mol. IUPAC: (6Z)-6-[[3-chloro-4-[(2-methylphenyl)methoxy]phenyl]methylidene]-5-imino-2-(2-oxo-2-piperidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of (6Z)-6-[[3-chloro-4-[(2-methylphenyl)methoxy]phenyl]methylidene]-5-imino-2-(2-oxo-2-piperidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Property Insights of (6Z)-6-[[3-chloro-4-[(2-methylphenyl)methoxy]phenyl]methylidene]-5-imino-2-(2-oxo-2-piperidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
The XLogP value of 5.24919 indicates that (6Z)-6-[[3-chloro-4-[(2-methylphenyl)methoxy]phenyl]methylidene]-5-imino-2-(2-oxo-2-piperidin-1-ylethyl)-[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 98.42 Ų falls within the moderate polarity range, balancing permeability and solubility for (6Z)-6-[[3-chloro-4-[(2-methylphenyl)methoxy]phenyl]methylidene]-5-imino-2-(2-oxo-2-piperidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one. Following Lipinski's Rule of Five, (6Z)-6-[[3-chloro-4-[(2-methylphenyl)methoxy]phenyl]methylidene]-5-imino-2-(2-oxo-2-piperidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (6Z)-6-[[3-chloro-4-[(2-methylphenyl)methoxy]phenyl]methylidene]-5-imino-2-(2-oxo-2-piperidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The CAS number of (6Z)-6-[[3-chloro-4-[(2-methylphenyl)methoxy]phenyl]methylidene]-5-imino-2-(2-oxo-2-piperidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is 845809-48-5.
What is the molecular formula of (6Z)-6-[[3-chloro-4-[(2-methylphenyl)methoxy]phenyl]methylidene]-5-imino-2-(2-oxo-2-piperidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The molecular formula of (6Z)-6-[[3-chloro-4-[(2-methylphenyl)methoxy]phenyl]methylidene]-5-imino-2-(2-oxo-2-piperidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is C27H26ClN5O3S.
What is the molecular weight of (6Z)-6-[[3-chloro-4-[(2-methylphenyl)methoxy]phenyl]methylidene]-5-imino-2-(2-oxo-2-piperidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The molecular weight of (6Z)-6-[[3-chloro-4-[(2-methylphenyl)methoxy]phenyl]methylidene]-5-imino-2-(2-oxo-2-piperidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is 535.14 g/mol.
Where can I buy (6Z)-6-[[3-chloro-4-[(2-methylphenyl)methoxy]phenyl]methylidene]-5-imino-2-(2-oxo-2-piperidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
You can request a quote for (6Z)-6-[[3-chloro-4-[(2-methylphenyl)methoxy]phenyl]methylidene]-5-imino-2-(2-oxo-2-piperidin-1-ylethyl)-[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)-6-[[3-chloro-4-[(2-methylphenyl)methoxy]phenyl]methylidene]-5-imino-2-(2-oxo-2-piperidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
Yes, KEHONG BIO provides custom synthesis services for (6Z)-6-[[3-chloro-4-[(2-methylphenyl)methoxy]phenyl]methylidene]-5-imino-2-(2-oxo-2-piperidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.