![4-methyl-N-[(E)-3-phenylprop-2-enyl]aniline structure](/static/products/127/127598-83-8.png)
4-methyl-N-[(E)-3-phenylprop-2-enyl]aniline
TL;DR: 4-methyl-N-[(E)-3-phenylprop-2-enyl]aniline (CAS 127598-83-8) is a chemical compound with molecular formula C16H17N and molecular weight 223.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-N-[(E)-3-phenylprop-2-enyl]aniline
Also Known As: N-Cinnamyl-4-methylaniline, N-(3-Phenyl-2-propenyl)-4-methylaniline, 4-Methyl-N-(3-phenylprop-2-en-1-yl)aniline, J3.290.894B, J3.585.007D
| Molecular Formula | C16H17N |
|---|---|
| Molecular Weight | 223.14 g/mol |
| LogP | 4.12032 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 223.1361 |
| Heavy Atoms | 17 |
| Complexity | 468.63818 |
Chemical Identifiers
| CAS Number | 127598-83-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC/C=C/C2=CC=CC=C2 |
Product Overview
4-methyl-N-[(E)-3-phenylprop-2-enyl]aniline (CAS 127598-83-8), with molecular formula C16H17N and molecular weight 223.14 g/mol. IUPAC: 4-methyl-N-[(E)-3-phenylprop-2-enyl]aniline.
Chemical Property Profile of 4-methyl-N-[(E)-3-phenylprop-2-enyl]aniline
Property Insights of 4-methyl-N-[(E)-3-phenylprop-2-enyl]aniline
The XLogP value of 4.12032 indicates that 4-methyl-N-[(E)-3-phenylprop-2-enyl]aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.03 Ų, 4-methyl-N-[(E)-3-phenylprop-2-enyl]aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-methyl-N-[(E)-3-phenylprop-2-enyl]aniline has 1 hydrogen bond donor(s) and 1 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-methyl-N-[(E)-3-phenylprop-2-enyl]aniline?
The CAS number of 4-methyl-N-[(E)-3-phenylprop-2-enyl]aniline is 127598-83-8.
What is the molecular formula of 4-methyl-N-[(E)-3-phenylprop-2-enyl]aniline?
The molecular formula of 4-methyl-N-[(E)-3-phenylprop-2-enyl]aniline is C16H17N.
What is the molecular weight of 4-methyl-N-[(E)-3-phenylprop-2-enyl]aniline?
The molecular weight of 4-methyl-N-[(E)-3-phenylprop-2-enyl]aniline is 223.14 g/mol.
Where can I buy 4-methyl-N-[(E)-3-phenylprop-2-enyl]aniline?
You can request a quote for 4-methyl-N-[(E)-3-phenylprop-2-enyl]aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-methyl-N-[(E)-3-phenylprop-2-enyl]aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-methyl-N-[(E)-3-phenylprop-2-enyl]aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.