5-Amino-2-(1E,3E)-1,3-pentadien-1-yl-4-oxazolecarbonitrile
TL;DR: 5-Amino-2-(1E,3E)-1,3-pentadien-1-yl-4-oxazolecarbonitrile (CAS 196411-05-9) is a chemical compound with molecular formula C9H9N3O and molecular weight 175.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-2-[(1E,3E)-penta-1,3-dienyl]-1,3-oxazole-4-carbonitrile
Also Known As: 2-(1,3-Pentadienyl)-5-aminooxazole-4-carbonitrile, 5-Amino-2-(1E,3E)-1,3-pentadien-1-yl-4-oxazolecarbonitrile, 5-Amino-2-(1,3-pentadienyl)-1,3-oxazole-4-carbonitrile, 5-amino-2-(penta-1,3-dien-1-yl)-1,3-oxazole-4-carbonitrile, 5-amino-2-[(1E,3E)-penta-1,3-dienyl]oxazole-4-carbonitrile
| Molecular Formula | C9H9N3O |
|---|---|
| Molecular Weight | 175.07 g/mol |
| LogP | 1.71778 |
| Topological Polar Surface Area | 75.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 175.07455 |
| Heavy Atoms | 13 |
| Complexity | 382.05435 |
Chemical Identifiers
| CAS Number | 196411-05-9 |
|---|---|
| SMILES | C/C=C/C=C/C1=NC(=C(O1)N)C#N |
Product Overview
5-Amino-2-(1E,3E)-1,3-pentadien-1-yl-4-oxazolecarbonitrile (CAS 196411-05-9), with molecular formula C9H9N3O and molecular weight 175.07 g/mol. IUPAC: 5-amino-2-[(1E,3E)-penta-1,3-dienyl]-1,3-oxazole-4-carbonitrile.
Chemical Property Profile of 5-Amino-2-(1E,3E)-1,3-pentadien-1-yl-4-oxazolecarbonitrile
Property Insights of 5-Amino-2-(1E,3E)-1,3-pentadien-1-yl-4-oxazolecarbonitrile
The XLogP value of 1.71778 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Amino-2-(1E,3E)-1,3-pentadien-1-yl-4-oxazolecarbonitrile. The TPSA of 75.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Amino-2-(1E,3E)-1,3-pentadien-1-yl-4-oxazolecarbonitrile. Following Lipinski's Rule of Five, 5-Amino-2-(1E,3E)-1,3-pentadien-1-yl-4-oxazolecarbonitrile has 1 hydrogen bond donor(s) and 4 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 5-Amino-2-(1E,3E)-1,3-pentadien-1-yl-4-oxazolecarbonitrile?
The CAS number of 5-Amino-2-(1E,3E)-1,3-pentadien-1-yl-4-oxazolecarbonitrile is 196411-05-9.
What is the molecular formula of 5-Amino-2-(1E,3E)-1,3-pentadien-1-yl-4-oxazolecarbonitrile?
The molecular formula of 5-Amino-2-(1E,3E)-1,3-pentadien-1-yl-4-oxazolecarbonitrile is C9H9N3O.
What is the molecular weight of 5-Amino-2-(1E,3E)-1,3-pentadien-1-yl-4-oxazolecarbonitrile?
The molecular weight of 5-Amino-2-(1E,3E)-1,3-pentadien-1-yl-4-oxazolecarbonitrile is 175.07 g/mol.
Where can I buy 5-Amino-2-(1E,3E)-1,3-pentadien-1-yl-4-oxazolecarbonitrile?
You can request a quote for 5-Amino-2-(1E,3E)-1,3-pentadien-1-yl-4-oxazolecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Amino-2-(1E,3E)-1,3-pentadien-1-yl-4-oxazolecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-Amino-2-(1E,3E)-1,3-pentadien-1-yl-4-oxazolecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.