3-(4-Methoxyphenyl)-2-phenylpropanenitrile
TL;DR: 3-(4-Methoxyphenyl)-2-phenylpropanenitrile (CAS 3783-77-5) is a chemical compound with molecular formula C16H15NO and molecular weight 237.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methoxyphenyl)-2-phenylpropanenitrile
Also Known As: 3-(4-methoxyphenyl)-2-phenylpropanenitrile, Propionitrile, 3-(p-methoxyphenyl)-2-phenyl-, 2-Phenyl-3-<4-methoxy-phenyl>-propionitril, 3-(4-methoxyphenyl)-2-phenyl-propanenitrile, J2.747.246J
| Molecular Formula | C16H15NO |
|---|---|
| Molecular Weight | 237.12 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 237.11537 |
| Heavy Atoms | 18 |
| Complexity | 279.0 |
Chemical Identifiers
| CAS Number | 3783-77-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CC(C#N)C2=CC=CC=C2 |
| InChIKey | GNYOWWNROKVNEL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(4-Methoxyphenyl)-2-phenylpropanenitrile (CAS 3783-77-5), with molecular formula C16H15NO and molecular weight 237.12 g/mol. IUPAC: 3-(4-methoxyphenyl)-2-phenylpropanenitrile.
Chemical Property Profile of 3-(4-Methoxyphenyl)-2-phenylpropanenitrile
Property Insights of 3-(4-Methoxyphenyl)-2-phenylpropanenitrile
The XLogP value of 3.5 indicates that 3-(4-Methoxyphenyl)-2-phenylpropanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.0 Ų, 3-(4-Methoxyphenyl)-2-phenylpropanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Methoxyphenyl)-2-phenylpropanenitrile has 0 hydrogen bond donor(s) and 2 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 3-(4-Methoxyphenyl)-2-phenylpropanenitrile?
The CAS number of 3-(4-Methoxyphenyl)-2-phenylpropanenitrile is 3783-77-5.
What is the molecular formula of 3-(4-Methoxyphenyl)-2-phenylpropanenitrile?
The molecular formula of 3-(4-Methoxyphenyl)-2-phenylpropanenitrile is C16H15NO.
What is the molecular weight of 3-(4-Methoxyphenyl)-2-phenylpropanenitrile?
The molecular weight of 3-(4-Methoxyphenyl)-2-phenylpropanenitrile is 237.12 g/mol.
Where can I buy 3-(4-Methoxyphenyl)-2-phenylpropanenitrile?
You can request a quote for 3-(4-Methoxyphenyl)-2-phenylpropanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Methoxyphenyl)-2-phenylpropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Methoxyphenyl)-2-phenylpropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.