![(6Z)-6-[(5-chloro-2-prop-2-enoxyphenyl)methylidene]-5-imino-2-thiophen-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one structure](/static/products/5794/579440-52-1.webp)
(6Z)-6-[(5-chloro-2-prop-2-enoxyphenyl)methylidene]-5-imino-2-thiophen-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
TL;DR: (6Z)-6-[(5-chloro-2-prop-2-enoxyphenyl)methylidene]-5-imino-2-thiophen-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (CAS 579440-52-1) is a chemical compound with molecular formula C19H13ClN4O2S2 and molecular weight 428.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6Z)-6-[(5-chloro-2-prop-2-enoxyphenyl)methylidene]-5-imino-2-thiophen-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (6Z)-6-[(5-chloro-2-prop-2-enoxyphenyl)methylidene]-5-imino-2-thiophen-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (6Z)-6-[5-chloro-2-(prop-2-en-1-yloxy)benzylidene]-5-imino-2-(thiophen-2-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (Z)-6-(2-(allyloxy)-5-chlorobenzylidene)-5-imino-2-(thiophen-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
| Molecular Formula | C19H13ClN4O2S2 |
|---|---|
| Molecular Weight | 428.02 g/mol |
| LogP | 4.63377 |
| Topological Polar Surface Area | 78.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 428.01685 |
| Heavy Atoms | 28 |
| Complexity | 1073.6077 |
Chemical Identifiers
| CAS Number | 579440-52-1 |
|---|---|
| SMILES | C=CCOC1=C(C=C(C=C1)Cl)/C=C\2/C(=N)N3C(=NC2=O)SC(=N3)C4=CC=CS4 |
Product Overview
(6Z)-6-[(5-chloro-2-prop-2-enoxyphenyl)methylidene]-5-imino-2-thiophen-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (CAS 579440-52-1), with molecular formula C19H13ClN4O2S2 and molecular weight 428.02 g/mol. IUPAC: (6Z)-6-[(5-chloro-2-prop-2-enoxyphenyl)methylidene]-5-imino-2-thiophen-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of (6Z)-6-[(5-chloro-2-prop-2-enoxyphenyl)methylidene]-5-imino-2-thiophen-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Property Insights of (6Z)-6-[(5-chloro-2-prop-2-enoxyphenyl)methylidene]-5-imino-2-thiophen-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
The XLogP value of 4.63377 indicates that (6Z)-6-[(5-chloro-2-prop-2-enoxyphenyl)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 78.11 Ų falls within the moderate polarity range, balancing permeability and solubility for (6Z)-6-[(5-chloro-2-prop-2-enoxyphenyl)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-[(5-chloro-2-prop-2-enoxyphenyl)methylidene]-5-imino-2-thiophen-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (6Z)-6-[(5-chloro-2-prop-2-enoxyphenyl)methylidene]-5-imino-2-thiophen-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The CAS number of (6Z)-6-[(5-chloro-2-prop-2-enoxyphenyl)methylidene]-5-imino-2-thiophen-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is 579440-52-1.
What is the molecular formula of (6Z)-6-[(5-chloro-2-prop-2-enoxyphenyl)methylidene]-5-imino-2-thiophen-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The molecular formula of (6Z)-6-[(5-chloro-2-prop-2-enoxyphenyl)methylidene]-5-imino-2-thiophen-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is C19H13ClN4O2S2.
What is the molecular weight of (6Z)-6-[(5-chloro-2-prop-2-enoxyphenyl)methylidene]-5-imino-2-thiophen-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The molecular weight of (6Z)-6-[(5-chloro-2-prop-2-enoxyphenyl)methylidene]-5-imino-2-thiophen-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is 428.02 g/mol.
Where can I buy (6Z)-6-[(5-chloro-2-prop-2-enoxyphenyl)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-[(5-chloro-2-prop-2-enoxyphenyl)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-[(5-chloro-2-prop-2-enoxyphenyl)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-[(5-chloro-2-prop-2-enoxyphenyl)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.