3-(4-Methoxyphenyl)-2-phenylprop-2-enenitrile
TL;DR: 3-(4-Methoxyphenyl)-2-phenylprop-2-enenitrile (CAS 5432-07-5) is a chemical compound with molecular formula C16H13NO and molecular weight 235.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methoxyphenyl)-2-phenylprop-2-enenitrile
Also Known As: 3-(4-methoxyphenyl)-2-phenylprop-2-enenitrile, 1-cyano-1-phenyl-2-(4-methoxy-phenyl)ethylene, (Z)-3-(4-methoxyphenyl)-2-phenyl-prop-2-enenitrile
| Molecular Formula | C16H13NO |
|---|---|
| Molecular Weight | 235.10 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 235.09972 |
| Heavy Atoms | 18 |
| Complexity | 324.0 |
Chemical Identifiers
| CAS Number | 5432-07-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C=C(C#N)C2=CC=CC=C2 |
| InChIKey | VQADOVBGJXESGV-UHFFFAOYSA-N |
Product Overview
3-(4-Methoxyphenyl)-2-phenylprop-2-enenitrile (CAS 5432-07-5), with molecular formula C16H13NO and molecular weight 235.10 g/mol. IUPAC: 3-(4-methoxyphenyl)-2-phenylprop-2-enenitrile.
Chemical Property Profile of 3-(4-Methoxyphenyl)-2-phenylprop-2-enenitrile
Property Insights of 3-(4-Methoxyphenyl)-2-phenylprop-2-enenitrile
The XLogP value of 3.7 indicates that 3-(4-Methoxyphenyl)-2-phenylprop-2-enenitrile 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-phenylprop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Methoxyphenyl)-2-phenylprop-2-enenitrile 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-phenylprop-2-enenitrile?
The CAS number of 3-(4-Methoxyphenyl)-2-phenylprop-2-enenitrile is 5432-07-5.
What is the molecular formula of 3-(4-Methoxyphenyl)-2-phenylprop-2-enenitrile?
The molecular formula of 3-(4-Methoxyphenyl)-2-phenylprop-2-enenitrile is C16H13NO.
What is the molecular weight of 3-(4-Methoxyphenyl)-2-phenylprop-2-enenitrile?
The molecular weight of 3-(4-Methoxyphenyl)-2-phenylprop-2-enenitrile is 235.10 g/mol.
Where can I buy 3-(4-Methoxyphenyl)-2-phenylprop-2-enenitrile?
You can request a quote for 3-(4-Methoxyphenyl)-2-phenylprop-2-enenitrile 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-phenylprop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Methoxyphenyl)-2-phenylprop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.