![(6E)-6-[(4-HYDROXYPHENYL)METHYLIDENE]-5-IMINO-2-(4-METHYLPIPERIDIN-1-YL)-5H,6H,7H-[1,3,4]THIADIAZOLO[3,2-A]PYRIMIDIN-7-ONE structure](/static/products/896/896809-00-0.png)
(6E)-6-[(4-HYDROXYPHENYL)METHYLIDENE]-5-IMINO-2-(4-METHYLPIPERIDIN-1-YL)-5H,6H,7H-[1,3,4]THIADIAZOLO[3,2-A]PYRIMIDIN-7-ONE
TL;DR: (6E)-6-[(4-HYDROXYPHENYL)METHYLIDENE]-5-IMINO-2-(4-METHYLPIPERIDIN-1-YL)-5H,6H,7H-[1,3,4]THIADIAZOLO[3,2-A]PYRIMIDIN-7-ONE (CAS 896809-00-0) is a chemical compound with molecular formula C18H19N5O2S and molecular weight 369.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-2-(4-methylpiperidin-1-yl)-6-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (6E)-6-[(4-HYDROXYPHENYL)METHYLIDENE]-5-IMINO-2-(4-METHYLPIPERIDIN-1-YL)-5H,6H,7H-[1,3,4]THIADIAZOLO[3,2-A]PYRIMIDIN-7-ONE, (E)-6-(4-hydroxybenzylidene)-5-imino-2-(4-methylpiperidin-1-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one, 4-{(E)-[5-iminio-2-(4-methylpiperidin-1-yl)-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene]methyl}phenolate, 5-amino-2-(4-methylpiperidin-1-yl)-6-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
| Molecular Formula | C18H19N5O2S |
|---|---|
| Molecular Weight | 369.13 g/mol |
| LogP | 2.048 |
| Topological Polar Surface Area | 93.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 369.12595 |
| Heavy Atoms | 26 |
| Complexity | 1004.1113 |
Chemical Identifiers
| CAS Number | 896809-00-0 |
|---|---|
| SMILES | CC1CCN(CC1)C2=NN3C(=C(C(=O)N=C3S2)C=C4C=CC(=O)C=C4)N |
Product Overview
(6E)-6-[(4-HYDROXYPHENYL)METHYLIDENE]-5-IMINO-2-(4-METHYLPIPERIDIN-1-YL)-5H,6H,7H-[1,3,4]THIADIAZOLO[3,2-A]PYRIMIDIN-7-ONE (CAS 896809-00-0), with molecular formula C18H19N5O2S and molecular weight 369.13 g/mol. IUPAC: 5-amino-2-(4-methylpiperidin-1-yl)-6-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of (6E)-6-[(4-HYDROXYPHENYL)METHYLIDENE]-5-IMINO-2-(4-METHYLPIPERIDIN-1-YL)-5H,6H,7H-[1,3,4]THIADIAZOLO[3,2-A]PYRIMIDIN-7-ONE
Property Insights of (6E)-6-[(4-HYDROXYPHENYL)METHYLIDENE]-5-IMINO-2-(4-METHYLPIPERIDIN-1-YL)-5H,6H,7H-[1,3,4]THIADIAZOLO[3,2-A]PYRIMIDIN-7-ONE
The XLogP value of 2.048 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (6E)-6-[(4-HYDROXYPHENYL)METHYLIDENE]-5-IMINO-2-(4-METHYLPIPERIDIN-1-YL)-5H,6H,7H-[1,3,4]THIADIAZOLO[3,2-A]PYRIMIDIN-7-ONE. The TPSA of 93.59 Ų falls within the moderate polarity range, balancing permeability and solubility for (6E)-6-[(4-HYDROXYPHENYL)METHYLIDENE]-5-IMINO-2-(4-METHYLPIPERIDIN-1-YL)-5H,6H,7H-[1,3,4]THIADIAZOLO[3,2-A]PYRIMIDIN-7-ONE. Following Lipinski's Rule of Five, (6E)-6-[(4-HYDROXYPHENYL)METHYLIDENE]-5-IMINO-2-(4-METHYLPIPERIDIN-1-YL)-5H,6H,7H-[1,3,4]THIADIAZOLO[3,2-A]PYRIMIDIN-7-ONE has 1 hydrogen bond donor(s) and 7 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 (6E)-6-[(4-HYDROXYPHENYL)METHYLIDENE]-5-IMINO-2-(4-METHYLPIPERIDIN-1-YL)-5H,6H,7H-[1,3,4]THIADIAZOLO[3,2-A]PYRIMIDIN-7-ONE?
The CAS number of (6E)-6-[(4-HYDROXYPHENYL)METHYLIDENE]-5-IMINO-2-(4-METHYLPIPERIDIN-1-YL)-5H,6H,7H-[1,3,4]THIADIAZOLO[3,2-A]PYRIMIDIN-7-ONE is 896809-00-0.
What is the molecular formula of (6E)-6-[(4-HYDROXYPHENYL)METHYLIDENE]-5-IMINO-2-(4-METHYLPIPERIDIN-1-YL)-5H,6H,7H-[1,3,4]THIADIAZOLO[3,2-A]PYRIMIDIN-7-ONE?
The molecular formula of (6E)-6-[(4-HYDROXYPHENYL)METHYLIDENE]-5-IMINO-2-(4-METHYLPIPERIDIN-1-YL)-5H,6H,7H-[1,3,4]THIADIAZOLO[3,2-A]PYRIMIDIN-7-ONE is C18H19N5O2S.
What is the molecular weight of (6E)-6-[(4-HYDROXYPHENYL)METHYLIDENE]-5-IMINO-2-(4-METHYLPIPERIDIN-1-YL)-5H,6H,7H-[1,3,4]THIADIAZOLO[3,2-A]PYRIMIDIN-7-ONE?
The molecular weight of (6E)-6-[(4-HYDROXYPHENYL)METHYLIDENE]-5-IMINO-2-(4-METHYLPIPERIDIN-1-YL)-5H,6H,7H-[1,3,4]THIADIAZOLO[3,2-A]PYRIMIDIN-7-ONE is 369.13 g/mol.
Where can I buy (6E)-6-[(4-HYDROXYPHENYL)METHYLIDENE]-5-IMINO-2-(4-METHYLPIPERIDIN-1-YL)-5H,6H,7H-[1,3,4]THIADIAZOLO[3,2-A]PYRIMIDIN-7-ONE?
You can request a quote for (6E)-6-[(4-HYDROXYPHENYL)METHYLIDENE]-5-IMINO-2-(4-METHYLPIPERIDIN-1-YL)-5H,6H,7H-[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 (6E)-6-[(4-HYDROXYPHENYL)METHYLIDENE]-5-IMINO-2-(4-METHYLPIPERIDIN-1-YL)-5H,6H,7H-[1,3,4]THIADIAZOLO[3,2-A]PYRIMIDIN-7-ONE?
Yes, KEHONG BIO provides custom synthesis services for (6E)-6-[(4-HYDROXYPHENYL)METHYLIDENE]-5-IMINO-2-(4-METHYLPIPERIDIN-1-YL)-5H,6H,7H-[1,3,4]THIADIAZOLO[3,2-A]PYRIMIDIN-7-ONE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.