![(Z)-2-(4-chlorobenzyl)-6-(4-(diethylamino)benzylidene)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one structure](/static/products/844/844825-98-5.png)
(Z)-2-(4-chlorobenzyl)-6-(4-(diethylamino)benzylidene)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
TL;DR: (Z)-2-(4-chlorobenzyl)-6-(4-(diethylamino)benzylidene)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (CAS 844825-98-5) is a chemical compound with molecular formula C23H22ClN5OS and molecular weight 451.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6Z)-2-[(4-chlorophenyl)methyl]-6-[[4-(diethylamino)phenyl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (Z)-2-(4-chlorobenzyl)-6-(4-(diethylamino)benzylidene)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one, (6Z)-2-[(4-chlorophenyl)methyl]-6-[[4-(diethylamino)phenyl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
| Molecular Formula | C23H22ClN5OS |
|---|---|
| Molecular Weight | 451.12 g/mol |
| LogP | 5.04807 |
| Topological Polar Surface Area | 72.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 451.12335 |
| Heavy Atoms | 31 |
| Complexity | 1101.7917 |
Chemical Identifiers
| CAS Number | 844825-98-5 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)/C=C\2/C(=N)N3C(=NC2=O)SC(=N3)CC4=CC=C(C=C4)Cl |
Product Overview
(Z)-2-(4-chlorobenzyl)-6-(4-(diethylamino)benzylidene)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (CAS 844825-98-5), with molecular formula C23H22ClN5OS and molecular weight 451.12 g/mol. IUPAC: (6Z)-2-[(4-chlorophenyl)methyl]-6-[[4-(diethylamino)phenyl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of (Z)-2-(4-chlorobenzyl)-6-(4-(diethylamino)benzylidene)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
Property Insights of (Z)-2-(4-chlorobenzyl)-6-(4-(diethylamino)benzylidene)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
The XLogP value of 5.04807 indicates that (Z)-2-(4-chlorobenzyl)-6-(4-(diethylamino)benzylidene)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.12 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-2-(4-chlorobenzyl)-6-(4-(diethylamino)benzylidene)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one. Following Lipinski's Rule of Five, (Z)-2-(4-chlorobenzyl)-6-(4-(diethylamino)benzylidene)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one has 1 hydrogen bond donor(s) and 5 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-(4-chlorobenzyl)-6-(4-(diethylamino)benzylidene)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The CAS number of (Z)-2-(4-chlorobenzyl)-6-(4-(diethylamino)benzylidene)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is 844825-98-5.
What is the molecular formula of (Z)-2-(4-chlorobenzyl)-6-(4-(diethylamino)benzylidene)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The molecular formula of (Z)-2-(4-chlorobenzyl)-6-(4-(diethylamino)benzylidene)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is C23H22ClN5OS.
What is the molecular weight of (Z)-2-(4-chlorobenzyl)-6-(4-(diethylamino)benzylidene)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The molecular weight of (Z)-2-(4-chlorobenzyl)-6-(4-(diethylamino)benzylidene)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is 451.12 g/mol.
Where can I buy (Z)-2-(4-chlorobenzyl)-6-(4-(diethylamino)benzylidene)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
You can request a quote for (Z)-2-(4-chlorobenzyl)-6-(4-(diethylamino)benzylidene)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-2-(4-chlorobenzyl)-6-(4-(diethylamino)benzylidene)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
Yes, KEHONG BIO provides custom synthesis services for (Z)-2-(4-chlorobenzyl)-6-(4-(diethylamino)benzylidene)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.