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Benzonitrile, 4-[3-(3-methoxyphenyl)-1-oxo-2-propenyl]-
TL;DR: Benzonitrile, 4-[3-(3-methoxyphenyl)-1-oxo-2-propenyl]- (CAS 5520-68-3) is a chemical compound with molecular formula C17H13NO2 and molecular weight 263.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(3-methoxyphenyl)prop-2-enoyl]benzonitrile
Also Known As: 4-[3-(3-methoxyphenyl)prop-2-enoyl]benzonitrile, Benzonitrile, 4-[3-(3-methoxyphenyl)-1-oxo-2-propenyl]-, Benzonitrile,4-[3-(3-methoxyphenyl)-1-oxo-2-propenyl]
| Molecular Formula | C17H13NO2 |
|---|---|
| Molecular Weight | 263.09 g/mol |
| LogP | 3.46298 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 263.09464 |
| Heavy Atoms | 20 |
| Complexity | 678.88135 |
Chemical Identifiers
| CAS Number | 5520-68-3 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C=CC(=O)C2=CC=C(C=C2)C#N |
Product Overview
Benzonitrile, 4-[3-(3-methoxyphenyl)-1-oxo-2-propenyl]- (CAS 5520-68-3), with molecular formula C17H13NO2 and molecular weight 263.09 g/mol. IUPAC: 4-[3-(3-methoxyphenyl)prop-2-enoyl]benzonitrile.
Chemical Property Profile of Benzonitrile, 4-[3-(3-methoxyphenyl)-1-oxo-2-propenyl]-
Property Insights of Benzonitrile, 4-[3-(3-methoxyphenyl)-1-oxo-2-propenyl]-
The XLogP value of 3.46298 indicates that Benzonitrile, 4-[3-(3-methoxyphenyl)-1-oxo-2-propenyl]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.09 Ų, Benzonitrile, 4-[3-(3-methoxyphenyl)-1-oxo-2-propenyl]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzonitrile, 4-[3-(3-methoxyphenyl)-1-oxo-2-propenyl]- 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 Benzonitrile, 4-[3-(3-methoxyphenyl)-1-oxo-2-propenyl]-?
The CAS number of Benzonitrile, 4-[3-(3-methoxyphenyl)-1-oxo-2-propenyl]- is 5520-68-3.
What is the molecular formula of Benzonitrile, 4-[3-(3-methoxyphenyl)-1-oxo-2-propenyl]-?
The molecular formula of Benzonitrile, 4-[3-(3-methoxyphenyl)-1-oxo-2-propenyl]- is C17H13NO2.
What is the molecular weight of Benzonitrile, 4-[3-(3-methoxyphenyl)-1-oxo-2-propenyl]-?
The molecular weight of Benzonitrile, 4-[3-(3-methoxyphenyl)-1-oxo-2-propenyl]- is 263.09 g/mol.
Where can I buy Benzonitrile, 4-[3-(3-methoxyphenyl)-1-oxo-2-propenyl]-?
You can request a quote for Benzonitrile, 4-[3-(3-methoxyphenyl)-1-oxo-2-propenyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzonitrile, 4-[3-(3-methoxyphenyl)-1-oxo-2-propenyl]-?
Yes, KEHONG BIO provides custom synthesis services for Benzonitrile, 4-[3-(3-methoxyphenyl)-1-oxo-2-propenyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.