![(8E)-2-amino-4-(1-ethyl-5-methylpyrazol-4-yl)-8-[(1-ethyl-5-methylpyrazol-4-yl)methylidene]-4,5,6,7-tetrahydrochromene-3-carbonitrile structure](/static/products/512/512808-72-9.png)
(8E)-2-amino-4-(1-ethyl-5-methylpyrazol-4-yl)-8-[(1-ethyl-5-methylpyrazol-4-yl)methylidene]-4,5,6,7-tetrahydrochromene-3-carbonitrile
TL;DR: (8E)-2-amino-4-(1-ethyl-5-methylpyrazol-4-yl)-8-[(1-ethyl-5-methylpyrazol-4-yl)methylidene]-4,5,6,7-tetrahydrochromene-3-carbonitrile (CAS 512808-72-9) is a chemical compound with molecular formula C23H28N6O and molecular weight 404.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8E)-2-amino-4-(1-ethyl-5-methylpyrazol-4-yl)-8-[(1-ethyl-5-methylpyrazol-4-yl)methylidene]-4,5,6,7-tetrahydrochromene-3-carbonitrile
Also Known As: (8E)-2-amino-4-(1-ethyl-5-methylpyrazol-4-yl)-8-[(1-ethyl-5-methylpyrazol-4-yl)methylidene]-4,5,6,7-tetrahydrochromene-3-carbonitrile, (8E)-2-amino-4-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-8-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methylidene]-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, 2-amino-4-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-8-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methylene]-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, 2-AMINO-4-(1-ETHYL-5-METHYL-1H-PYRAZOL-4-YL)-8-[(E)-1-(1-ETHYL-5-METHYL-1H-PYRAZOL-4-YL)METHYLIDENE]-5,6,7,8-TETRAHYDRO-4H-CHROMEN-3-YL CYANIDE
| Molecular Formula | C23H28N6O |
|---|---|
| Molecular Weight | 404.23 g/mol |
| LogP | 4.06552 |
| Topological Polar Surface Area | 94.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 404.23245 |
| Heavy Atoms | 30 |
| Complexity | 1121.2397 |
Chemical Identifiers
| CAS Number | 512808-72-9 |
|---|---|
| SMILES | CCN1C(=C(C=N1)/C=C/2\CCCC3=C2OC(=C(C3C4=C(N(N=C4)CC)C)C#N)N)C |
Product Overview
(8E)-2-amino-4-(1-ethyl-5-methylpyrazol-4-yl)-8-[(1-ethyl-5-methylpyrazol-4-yl)methylidene]-4,5,6,7-tetrahydrochromene-3-carbonitrile (CAS 512808-72-9), with molecular formula C23H28N6O and molecular weight 404.23 g/mol. IUPAC: (8E)-2-amino-4-(1-ethyl-5-methylpyrazol-4-yl)-8-[(1-ethyl-5-methylpyrazol-4-yl)methylidene]-4,5,6,7-tetrahydrochromene-3-carbonitrile.
Chemical Property Profile of (8E)-2-amino-4-(1-ethyl-5-methylpyrazol-4-yl)-8-[(1-ethyl-5-methylpyrazol-4-yl)methylidene]-4,5,6,7-tetrahydrochromene-3-carbonitrile
Property Insights of (8E)-2-amino-4-(1-ethyl-5-methylpyrazol-4-yl)-8-[(1-ethyl-5-methylpyrazol-4-yl)methylidene]-4,5,6,7-tetrahydrochromene-3-carbonitrile
The XLogP value of 4.06552 indicates that (8E)-2-amino-4-(1-ethyl-5-methylpyrazol-4-yl)-8-[(1-ethyl-5-methylpyrazol-4-yl)methylidene]-4,5,6,7-tetrahydrochromene-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.68 Ų falls within the moderate polarity range, balancing permeability and solubility for (8E)-2-amino-4-(1-ethyl-5-methylpyrazol-4-yl)-8-[(1-ethyl-5-methylpyrazol-4-yl)methylidene]-4,5,6,7-tetrahydrochromene-3-carbonitrile. Following Lipinski's Rule of Five, (8E)-2-amino-4-(1-ethyl-5-methylpyrazol-4-yl)-8-[(1-ethyl-5-methylpyrazol-4-yl)methylidene]-4,5,6,7-tetrahydrochromene-3-carbonitrile has 1 hydrogen bond donor(s) and 5 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 (8E)-2-amino-4-(1-ethyl-5-methylpyrazol-4-yl)-8-[(1-ethyl-5-methylpyrazol-4-yl)methylidene]-4,5,6,7-tetrahydrochromene-3-carbonitrile?
The CAS number of (8E)-2-amino-4-(1-ethyl-5-methylpyrazol-4-yl)-8-[(1-ethyl-5-methylpyrazol-4-yl)methylidene]-4,5,6,7-tetrahydrochromene-3-carbonitrile is 512808-72-9.
What is the molecular formula of (8E)-2-amino-4-(1-ethyl-5-methylpyrazol-4-yl)-8-[(1-ethyl-5-methylpyrazol-4-yl)methylidene]-4,5,6,7-tetrahydrochromene-3-carbonitrile?
The molecular formula of (8E)-2-amino-4-(1-ethyl-5-methylpyrazol-4-yl)-8-[(1-ethyl-5-methylpyrazol-4-yl)methylidene]-4,5,6,7-tetrahydrochromene-3-carbonitrile is C23H28N6O.
What is the molecular weight of (8E)-2-amino-4-(1-ethyl-5-methylpyrazol-4-yl)-8-[(1-ethyl-5-methylpyrazol-4-yl)methylidene]-4,5,6,7-tetrahydrochromene-3-carbonitrile?
The molecular weight of (8E)-2-amino-4-(1-ethyl-5-methylpyrazol-4-yl)-8-[(1-ethyl-5-methylpyrazol-4-yl)methylidene]-4,5,6,7-tetrahydrochromene-3-carbonitrile is 404.23 g/mol.
Where can I buy (8E)-2-amino-4-(1-ethyl-5-methylpyrazol-4-yl)-8-[(1-ethyl-5-methylpyrazol-4-yl)methylidene]-4,5,6,7-tetrahydrochromene-3-carbonitrile?
You can request a quote for (8E)-2-amino-4-(1-ethyl-5-methylpyrazol-4-yl)-8-[(1-ethyl-5-methylpyrazol-4-yl)methylidene]-4,5,6,7-tetrahydrochromene-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (8E)-2-amino-4-(1-ethyl-5-methylpyrazol-4-yl)-8-[(1-ethyl-5-methylpyrazol-4-yl)methylidene]-4,5,6,7-tetrahydrochromene-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for (8E)-2-amino-4-(1-ethyl-5-methylpyrazol-4-yl)-8-[(1-ethyl-5-methylpyrazol-4-yl)methylidene]-4,5,6,7-tetrahydrochromene-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.