1-oxo-3-phenyl-1H-isochromene-4-carbonitrile
TL;DR: 1-oxo-3-phenyl-1H-isochromene-4-carbonitrile (CAS 2289-04-5) is a chemical compound with molecular formula C16H9NO2 and molecular weight 247.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-oxo-3-phenylisochromene-4-carbonitrile
Also Known As: 1-oxo-3-phenyl-1H-isochromene-4-carbonitrile, 1-oxo-3-phenylisochromene-4-carbonitrile, J3.708.903F, 3-Phenyl-1-oxo-1H-2-benzopyran-4-carbonitrile, AN-584/41775052
| Molecular Formula | C16H9NO2 |
|---|---|
| Molecular Weight | 247.06 g/mol |
| LogP | 3.33168 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 247.06332 |
| Heavy Atoms | 19 |
| Complexity | 841.9922 |
Chemical Identifiers
| CAS Number | 2289-04-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(C3=CC=CC=C3C(=O)O2)C#N |
Product Overview
1-oxo-3-phenyl-1H-isochromene-4-carbonitrile (CAS 2289-04-5), with molecular formula C16H9NO2 and molecular weight 247.06 g/mol. IUPAC: 1-oxo-3-phenylisochromene-4-carbonitrile.
Chemical Property Profile of 1-oxo-3-phenyl-1H-isochromene-4-carbonitrile
Property Insights of 1-oxo-3-phenyl-1H-isochromene-4-carbonitrile
The XLogP value of 3.33168 indicates that 1-oxo-3-phenyl-1H-isochromene-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.0 Ų, 1-oxo-3-phenyl-1H-isochromene-4-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-oxo-3-phenyl-1H-isochromene-4-carbonitrile has 0 hydrogen bond donor(s) and 3 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 1-oxo-3-phenyl-1H-isochromene-4-carbonitrile?
The CAS number of 1-oxo-3-phenyl-1H-isochromene-4-carbonitrile is 2289-04-5.
What is the molecular formula of 1-oxo-3-phenyl-1H-isochromene-4-carbonitrile?
The molecular formula of 1-oxo-3-phenyl-1H-isochromene-4-carbonitrile is C16H9NO2.
What is the molecular weight of 1-oxo-3-phenyl-1H-isochromene-4-carbonitrile?
The molecular weight of 1-oxo-3-phenyl-1H-isochromene-4-carbonitrile is 247.06 g/mol.
Where can I buy 1-oxo-3-phenyl-1H-isochromene-4-carbonitrile?
You can request a quote for 1-oxo-3-phenyl-1H-isochromene-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-oxo-3-phenyl-1H-isochromene-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-oxo-3-phenyl-1H-isochromene-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.