![4-[(4-oxo-3,4-dihydro-2H-1-benzopyran-3-ylidene)methyl]benzonitrile structure](/static/products/1687/1687754-74-0.webp)
4-[(4-oxo-3,4-dihydro-2H-1-benzopyran-3-ylidene)methyl]benzonitrile
TL;DR: 4-[(4-oxo-3,4-dihydro-2H-1-benzopyran-3-ylidene)methyl]benzonitrile (CAS 1687754-74-0) is a chemical compound with molecular formula C17H11NO2 and molecular weight 261.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-oxochromen-3-ylidene)methyl]benzonitrile
Also Known As: 4-[(4-oxochromen-3-ylidene)methyl]benzonitrile, 4-[(4-oxo-3,4-dihydro-2H-1-benzopyran-3-ylidene)methyl]benzonitrile, 4-{[4-oxo-2H-chromen-3(4H)-yliden]methyl}benzenecarbonitrile, 4-{[(3E)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-ylidene]methyl}benzonitrile
| Molecular Formula | C17H11NO2 |
|---|---|
| Molecular Weight | 261.08 g/mol |
| LogP | 3.21698 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 261.07898 |
| Heavy Atoms | 20 |
| Complexity | 736.3305 |
Chemical Identifiers
| CAS Number | 1687754-74-0 |
|---|---|
| SMILES | C1C(=CC2=CC=C(C=C2)C#N)C(=O)C3=CC=CC=C3O1 |
Product Overview
4-[(4-oxo-3,4-dihydro-2H-1-benzopyran-3-ylidene)methyl]benzonitrile (CAS 1687754-74-0), with molecular formula C17H11NO2 and molecular weight 261.08 g/mol. IUPAC: 4-[(4-oxochromen-3-ylidene)methyl]benzonitrile.
Chemical Property Profile of 4-[(4-oxo-3,4-dihydro-2H-1-benzopyran-3-ylidene)methyl]benzonitrile
Property Insights of 4-[(4-oxo-3,4-dihydro-2H-1-benzopyran-3-ylidene)methyl]benzonitrile
The XLogP value of 3.21698 indicates that 4-[(4-oxo-3,4-dihydro-2H-1-benzopyran-3-ylidene)methyl]benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.09 Ų, 4-[(4-oxo-3,4-dihydro-2H-1-benzopyran-3-ylidene)methyl]benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(4-oxo-3,4-dihydro-2H-1-benzopyran-3-ylidene)methyl]benzonitrile 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 4-[(4-oxo-3,4-dihydro-2H-1-benzopyran-3-ylidene)methyl]benzonitrile?
The CAS number of 4-[(4-oxo-3,4-dihydro-2H-1-benzopyran-3-ylidene)methyl]benzonitrile is 1687754-74-0.
What is the molecular formula of 4-[(4-oxo-3,4-dihydro-2H-1-benzopyran-3-ylidene)methyl]benzonitrile?
The molecular formula of 4-[(4-oxo-3,4-dihydro-2H-1-benzopyran-3-ylidene)methyl]benzonitrile is C17H11NO2.
What is the molecular weight of 4-[(4-oxo-3,4-dihydro-2H-1-benzopyran-3-ylidene)methyl]benzonitrile?
The molecular weight of 4-[(4-oxo-3,4-dihydro-2H-1-benzopyran-3-ylidene)methyl]benzonitrile is 261.08 g/mol.
Where can I buy 4-[(4-oxo-3,4-dihydro-2H-1-benzopyran-3-ylidene)methyl]benzonitrile?
You can request a quote for 4-[(4-oxo-3,4-dihydro-2H-1-benzopyran-3-ylidene)methyl]benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(4-oxo-3,4-dihydro-2H-1-benzopyran-3-ylidene)methyl]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-[(4-oxo-3,4-dihydro-2H-1-benzopyran-3-ylidene)methyl]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.