3-(1H-Perimidin-2-yl)aniline
TL;DR: 3-(1H-Perimidin-2-yl)aniline (CAS 296242-85-8) is a chemical compound with molecular formula C17H13N3 and molecular weight 259.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1H-perimidin-2-yl)aniline
Also Known As: 3-(1H-Perimidin-2-yl)aniline, 3-perimidin-2-ylphenylamine, [3-(1H-perimidin-2-yl)phenyl]amine, 3-(1H-Perimidin-2-yl)aniline #, Benzenamine, 3-(3H-benzo[d,E]quinazolin-2-yl)-
| Molecular Formula | C17H13N3 |
|---|---|
| Molecular Weight | 259.11 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 50.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 259.11096 |
| Heavy Atoms | 20 |
| Complexity | 392.0 |
Chemical Identifiers
| CAS Number | 296242-85-8 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)NC(=NC3=CC=C2)C4=CC(=CC=C4)N |
| InChIKey | YYYQAYCQDWCUAD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(1H-Perimidin-2-yl)aniline (CAS 296242-85-8), with molecular formula C17H13N3 and molecular weight 259.11 g/mol. IUPAC: 3-(1H-perimidin-2-yl)aniline.
Chemical Property Profile of 3-(1H-Perimidin-2-yl)aniline
Property Insights of 3-(1H-Perimidin-2-yl)aniline
The XLogP value of 3.0 indicates that 3-(1H-Perimidin-2-yl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.4 Ų, 3-(1H-Perimidin-2-yl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1H-Perimidin-2-yl)aniline has 2 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-(1H-Perimidin-2-yl)aniline?
The CAS number of 3-(1H-Perimidin-2-yl)aniline is 296242-85-8.
What is the molecular formula of 3-(1H-Perimidin-2-yl)aniline?
The molecular formula of 3-(1H-Perimidin-2-yl)aniline is C17H13N3.
What is the molecular weight of 3-(1H-Perimidin-2-yl)aniline?
The molecular weight of 3-(1H-Perimidin-2-yl)aniline is 259.11 g/mol.
Where can I buy 3-(1H-Perimidin-2-yl)aniline?
You can request a quote for 3-(1H-Perimidin-2-yl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1H-Perimidin-2-yl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 3-(1H-Perimidin-2-yl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.