N-phenyl-1,3,5-triazin-2-amine
TL;DR: N-phenyl-1,3,5-triazin-2-amine (CAS 4040-07-7) is a chemical compound with molecular formula C9H8N4 and molecular weight 172.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-phenyl-1,3,5-triazin-2-amine
Also Known As: N-phenyl-1,3,5-triazin-2-amine, anilino-1,3,5-triazine, 2-ANILINO-S-TRIAZINE, 2-Anilino-1,3,5-triazine, J1.553.701I
| Molecular Formula | C9H8N4 |
|---|---|
| Molecular Weight | 172.07 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 50.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 172.07489 |
| Heavy Atoms | 13 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 4040-07-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=NC=NC=N2 |
| InChIKey | ZRHAGDPKFFHVEY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-phenyl-1,3,5-triazin-2-amine (CAS 4040-07-7), with molecular formula C9H8N4 and molecular weight 172.07 g/mol. IUPAC: N-phenyl-1,3,5-triazin-2-amine.
Chemical Property Profile of N-phenyl-1,3,5-triazin-2-amine
Property Insights of N-phenyl-1,3,5-triazin-2-amine
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-phenyl-1,3,5-triazin-2-amine. With a topological polar surface area (TPSA) of 50.7 Ų, N-phenyl-1,3,5-triazin-2-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-phenyl-1,3,5-triazin-2-amine has 1 hydrogen bond donor(s) and 4 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-phenyl-1,3,5-triazin-2-amine?
The CAS number of N-phenyl-1,3,5-triazin-2-amine is 4040-07-7.
What is the molecular formula of N-phenyl-1,3,5-triazin-2-amine?
The molecular formula of N-phenyl-1,3,5-triazin-2-amine is C9H8N4.
What is the molecular weight of N-phenyl-1,3,5-triazin-2-amine?
The molecular weight of N-phenyl-1,3,5-triazin-2-amine is 172.07 g/mol.
Where can I buy N-phenyl-1,3,5-triazin-2-amine?
You can request a quote for N-phenyl-1,3,5-triazin-2-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-phenyl-1,3,5-triazin-2-amine?
Yes, KEHONG BIO provides custom synthesis services for N-phenyl-1,3,5-triazin-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.