3-Anilinoacrolein anil
TL;DR: 3-Anilinoacrolein anil (CAS 58467-92-8) is a chemical compound with molecular formula C15H14N2 and molecular weight 222.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-3-phenyliminoprop-1-enyl]aniline
Also Known As: 3-Anilinoacrolein anil, 3-Anilinoacrylaldehyde anil, N,N'-Diphenylethanediimine, N-(3-(Phenylamino)allylidene)aniline, N-[(E)-3-phenyliminoprop-1-enyl]aniline
| Molecular Formula | C15H14N2 |
|---|---|
| Molecular Weight | 222.12 g/mol |
| LogP | 4.0147 |
| Topological Polar Surface Area | 24.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 222.11569 |
| Heavy Atoms | 17 |
| Complexity | 486.84497 |
Chemical Identifiers
| CAS Number | 58467-92-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)N/C=C/C=NC2=CC=CC=C2 |
Product Overview
3-Anilinoacrolein anil (CAS 58467-92-8), with molecular formula C15H14N2 and molecular weight 222.12 g/mol. IUPAC: N-[(E)-3-phenyliminoprop-1-enyl]aniline.
Chemical Property Profile of 3-Anilinoacrolein anil
Property Insights of 3-Anilinoacrolein anil
The XLogP value of 4.0147 indicates that 3-Anilinoacrolein anil is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.39 Ų, 3-Anilinoacrolein anil exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Anilinoacrolein anil has 1 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-Anilinoacrolein anil?
The CAS number of 3-Anilinoacrolein anil is 58467-92-8.
What is the molecular formula of 3-Anilinoacrolein anil?
The molecular formula of 3-Anilinoacrolein anil is C15H14N2.
What is the molecular weight of 3-Anilinoacrolein anil?
The molecular weight of 3-Anilinoacrolein anil is 222.12 g/mol.
Where can I buy 3-Anilinoacrolein anil?
You can request a quote for 3-Anilinoacrolein anil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Anilinoacrolein anil?
Yes, KEHONG BIO provides custom synthesis services for 3-Anilinoacrolein anil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.