![(6Z)-6-[[4-[3-(4-chlorophenoxy)propoxy]phenyl]methylidene]-5-imino-2-thiophen-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one structure](/static/products/446/446249-54-3.png)
(6Z)-6-[[4-[3-(4-chlorophenoxy)propoxy]phenyl]methylidene]-5-imino-2-thiophen-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
TL;DR: (6Z)-6-[[4-[3-(4-chlorophenoxy)propoxy]phenyl]methylidene]-5-imino-2-thiophen-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (CAS 446249-54-3) is a chemical compound with molecular formula C25H19ClN4O3S2 and molecular weight 522.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6Z)-6-[[4-[3-(4-chlorophenoxy)propoxy]phenyl]methylidene]-5-imino-2-thiophen-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (6Z)-6-[[4-[3-(4-chlorophenoxy)propoxy]phenyl]methylidene]-5-imino-2-thiophen-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (6Z)-6-{4-[3-(4-chlorophenoxy)propoxy]benzylidene}-5-imino-2-(thiophen-2-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (Z)-6-(4-(3-(4-chlorophenoxy)propoxy)benzylidene)-5-imino-2-(thiophen-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
| Molecular Formula | C25H19ClN4O3S2 |
|---|---|
| Molecular Weight | 522.06 g/mol |
| LogP | 5.91687 |
| Topological Polar Surface Area | 87.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 522.0587 |
| Heavy Atoms | 35 |
| Complexity | 1334.0461 |
Chemical Identifiers
| CAS Number | 446249-54-3 |
|---|---|
| SMILES | C1=CSC(=C1)C2=NN3C(=N)/C(=C/C4=CC=C(C=C4)OCCCOC5=CC=C(C=C5)Cl)/C(=O)N=C3S2 |
Product Overview
(6Z)-6-[[4-[3-(4-chlorophenoxy)propoxy]phenyl]methylidene]-5-imino-2-thiophen-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (CAS 446249-54-3), with molecular formula C25H19ClN4O3S2 and molecular weight 522.06 g/mol. IUPAC: (6Z)-6-[[4-[3-(4-chlorophenoxy)propoxy]phenyl]methylidene]-5-imino-2-thiophen-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of (6Z)-6-[[4-[3-(4-chlorophenoxy)propoxy]phenyl]methylidene]-5-imino-2-thiophen-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Property Insights of (6Z)-6-[[4-[3-(4-chlorophenoxy)propoxy]phenyl]methylidene]-5-imino-2-thiophen-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
The XLogP value of 5.91687 indicates that (6Z)-6-[[4-[3-(4-chlorophenoxy)propoxy]phenyl]methylidene]-5-imino-2-thiophen-2-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 87.34 Ų falls within the moderate polarity range, balancing permeability and solubility for (6Z)-6-[[4-[3-(4-chlorophenoxy)propoxy]phenyl]methylidene]-5-imino-2-thiophen-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one. Following Lipinski's Rule of Five, (6Z)-6-[[4-[3-(4-chlorophenoxy)propoxy]phenyl]methylidene]-5-imino-2-thiophen-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one has 1 hydrogen bond donor(s) and 7 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-[[4-[3-(4-chlorophenoxy)propoxy]phenyl]methylidene]-5-imino-2-thiophen-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The CAS number of (6Z)-6-[[4-[3-(4-chlorophenoxy)propoxy]phenyl]methylidene]-5-imino-2-thiophen-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is 446249-54-3.
What is the molecular formula of (6Z)-6-[[4-[3-(4-chlorophenoxy)propoxy]phenyl]methylidene]-5-imino-2-thiophen-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The molecular formula of (6Z)-6-[[4-[3-(4-chlorophenoxy)propoxy]phenyl]methylidene]-5-imino-2-thiophen-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is C25H19ClN4O3S2.
What is the molecular weight of (6Z)-6-[[4-[3-(4-chlorophenoxy)propoxy]phenyl]methylidene]-5-imino-2-thiophen-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The molecular weight of (6Z)-6-[[4-[3-(4-chlorophenoxy)propoxy]phenyl]methylidene]-5-imino-2-thiophen-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is 522.06 g/mol.
Where can I buy (6Z)-6-[[4-[3-(4-chlorophenoxy)propoxy]phenyl]methylidene]-5-imino-2-thiophen-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
You can request a quote for (6Z)-6-[[4-[3-(4-chlorophenoxy)propoxy]phenyl]methylidene]-5-imino-2-thiophen-2-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)-6-[[4-[3-(4-chlorophenoxy)propoxy]phenyl]methylidene]-5-imino-2-thiophen-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
Yes, KEHONG BIO provides custom synthesis services for (6Z)-6-[[4-[3-(4-chlorophenoxy)propoxy]phenyl]methylidene]-5-imino-2-thiophen-2-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.