N-(3-Anilino-2-propenylidene)aniline
TL;DR: N-(3-Anilino-2-propenylidene)aniline (CAS 4485-89-6) 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-(3-phenyliminoprop-1-enyl)aniline
Also Known As: Malondianil, 3-Anilinoacrolein anil, 3-Anilinoacroleineanil, N-(3-anilino-2-propenylidene)aniline, NCIOpen2_005421
| Molecular Formula | C15H14N2 |
|---|---|
| Molecular Weight | 222.12 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 24.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 222.11569 |
| Heavy Atoms | 17 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 4485-89-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC=CC=NC2=CC=CC=C2 |
| InChIKey | ZFYNTCNECVPHDZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(3-Anilino-2-propenylidene)aniline (CAS 4485-89-6), with molecular formula C15H14N2 and molecular weight 222.12 g/mol. IUPAC: N-(3-phenyliminoprop-1-enyl)aniline.
Chemical Property Profile of N-(3-Anilino-2-propenylidene)aniline
Property Insights of N-(3-Anilino-2-propenylidene)aniline
The XLogP value of 3.3 indicates that N-(3-Anilino-2-propenylidene)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.4 Ų, N-(3-Anilino-2-propenylidene)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-Anilino-2-propenylidene)aniline 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 N-(3-Anilino-2-propenylidene)aniline?
The CAS number of N-(3-Anilino-2-propenylidene)aniline is 4485-89-6.
What is the molecular formula of N-(3-Anilino-2-propenylidene)aniline?
The molecular formula of N-(3-Anilino-2-propenylidene)aniline is C15H14N2.
What is the molecular weight of N-(3-Anilino-2-propenylidene)aniline?
The molecular weight of N-(3-Anilino-2-propenylidene)aniline is 222.12 g/mol.
Where can I buy N-(3-Anilino-2-propenylidene)aniline?
You can request a quote for N-(3-Anilino-2-propenylidene)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-Anilino-2-propenylidene)aniline?
Yes, KEHONG BIO provides custom synthesis services for N-(3-Anilino-2-propenylidene)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.