![(6Z)-6-[(3-ethoxy-4-phenylmethoxyphenyl)methylidene]-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one structure](/static/products/847/847181-47-9.png)
(6Z)-6-[(3-ethoxy-4-phenylmethoxyphenyl)methylidene]-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
TL;DR: (6Z)-6-[(3-ethoxy-4-phenylmethoxyphenyl)methylidene]-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (CAS 847181-47-9) is a chemical compound with molecular formula C27H27N5O5S and molecular weight 533.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6Z)-6-[(3-ethoxy-4-phenylmethoxyphenyl)methylidene]-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (6Z)-6-[(3-ethoxy-4-phenylmethoxyphenyl)methylidene]-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (6Z)-6-[4-(benzyloxy)-3-ethoxybenzylidene]-5-imino-2-[2-(morpholin-4-yl)-2-oxoethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (Z)-6-(4-(benzyloxy)-3-ethoxybenzylidene)-5-imino-2-(2-morpholino-2-oxoethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
| Molecular Formula | C27H27N5O5S |
|---|---|
| Molecular Weight | 533.17 g/mol |
| LogP | 3.53237 |
| Topological Polar Surface Area | 116.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 533.1733 |
| Heavy Atoms | 38 |
| Complexity | 1334.6235 |
Chemical Identifiers
| CAS Number | 847181-47-9 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)/C=C\2/C(=N)N3C(=NC2=O)SC(=N3)CC(=O)N4CCOCC4)OCC5=CC=CC=C5 |
Product Overview
(6Z)-6-[(3-ethoxy-4-phenylmethoxyphenyl)methylidene]-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (CAS 847181-47-9), with molecular formula C27H27N5O5S and molecular weight 533.17 g/mol. IUPAC: (6Z)-6-[(3-ethoxy-4-phenylmethoxyphenyl)methylidene]-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of (6Z)-6-[(3-ethoxy-4-phenylmethoxyphenyl)methylidene]-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Property Insights of (6Z)-6-[(3-ethoxy-4-phenylmethoxyphenyl)methylidene]-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
The XLogP value of 3.53237 indicates that (6Z)-6-[(3-ethoxy-4-phenylmethoxyphenyl)methylidene]-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-[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 116.88 Ų falls within the moderate polarity range, balancing permeability and solubility for (6Z)-6-[(3-ethoxy-4-phenylmethoxyphenyl)methylidene]-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one. Following Lipinski's Rule of Five, (6Z)-6-[(3-ethoxy-4-phenylmethoxyphenyl)methylidene]-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one has 1 hydrogen bond donor(s) and 8 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-ethoxy-4-phenylmethoxyphenyl)methylidene]-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The CAS number of (6Z)-6-[(3-ethoxy-4-phenylmethoxyphenyl)methylidene]-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is 847181-47-9.
What is the molecular formula of (6Z)-6-[(3-ethoxy-4-phenylmethoxyphenyl)methylidene]-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The molecular formula of (6Z)-6-[(3-ethoxy-4-phenylmethoxyphenyl)methylidene]-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is C27H27N5O5S.
What is the molecular weight of (6Z)-6-[(3-ethoxy-4-phenylmethoxyphenyl)methylidene]-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The molecular weight of (6Z)-6-[(3-ethoxy-4-phenylmethoxyphenyl)methylidene]-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is 533.17 g/mol.
Where can I buy (6Z)-6-[(3-ethoxy-4-phenylmethoxyphenyl)methylidene]-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
You can request a quote for (6Z)-6-[(3-ethoxy-4-phenylmethoxyphenyl)methylidene]-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-[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-ethoxy-4-phenylmethoxyphenyl)methylidene]-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
Yes, KEHONG BIO provides custom synthesis services for (6Z)-6-[(3-ethoxy-4-phenylmethoxyphenyl)methylidene]-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.