4-(3-Methyl-4-oxo-4H-chromen-2-yl)benzonitrile
TL;DR: 4-(3-Methyl-4-oxo-4H-chromen-2-yl)benzonitrile (CAS 775315-38-3) 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-(3-methyl-4-oxochromen-2-yl)benzonitrile
Also Known As: 4-(3-Methyl-4-oxo-4H-chromen-2-yl)benzonitrile, 4-(3-methyl-4-oxochromen-2-yl)benzonitrile, Benzonitrile, 4-(3-methyl-4-oxo-4H-1-benzopyran-2-yl)-, Benzonitrile, 4-(3-methyl-4-oxo-4H-1-benzopyran-2-yl)- (9CI)
| Molecular Formula | C17H11NO2 |
|---|---|
| Molecular Weight | 261.08 g/mol |
| LogP | 3.6401 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 261.07898 |
| Heavy Atoms | 20 |
| Complexity | 883.49243 |
Chemical Identifiers
| CAS Number | 775315-38-3 |
|---|---|
| SMILES | CC1=C(OC2=CC=CC=C2C1=O)C3=CC=C(C=C3)C#N |
Product Overview
4-(3-Methyl-4-oxo-4H-chromen-2-yl)benzonitrile (CAS 775315-38-3), with molecular formula C17H11NO2 and molecular weight 261.08 g/mol. IUPAC: 4-(3-methyl-4-oxochromen-2-yl)benzonitrile.
Chemical Property Profile of 4-(3-Methyl-4-oxo-4H-chromen-2-yl)benzonitrile
Property Insights of 4-(3-Methyl-4-oxo-4H-chromen-2-yl)benzonitrile
The XLogP value of 3.6401 indicates that 4-(3-Methyl-4-oxo-4H-chromen-2-yl)benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.0 Ų, 4-(3-Methyl-4-oxo-4H-chromen-2-yl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3-Methyl-4-oxo-4H-chromen-2-yl)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-(3-Methyl-4-oxo-4H-chromen-2-yl)benzonitrile?
The CAS number of 4-(3-Methyl-4-oxo-4H-chromen-2-yl)benzonitrile is 775315-38-3.
What is the molecular formula of 4-(3-Methyl-4-oxo-4H-chromen-2-yl)benzonitrile?
The molecular formula of 4-(3-Methyl-4-oxo-4H-chromen-2-yl)benzonitrile is C17H11NO2.
What is the molecular weight of 4-(3-Methyl-4-oxo-4H-chromen-2-yl)benzonitrile?
The molecular weight of 4-(3-Methyl-4-oxo-4H-chromen-2-yl)benzonitrile is 261.08 g/mol.
Where can I buy 4-(3-Methyl-4-oxo-4H-chromen-2-yl)benzonitrile?
You can request a quote for 4-(3-Methyl-4-oxo-4H-chromen-2-yl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-Methyl-4-oxo-4H-chromen-2-yl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Methyl-4-oxo-4H-chromen-2-yl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.