Hexaphenylisomelamine
TL;DR: Hexaphenylisomelamine (CAS 604-45-5) is a chemical compound with molecular formula C39H30N6 and molecular weight 582.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-N,4-N,6-N,1,3,5-hexakis-phenyl-1,3,5-triazinane-2,4,6-triimine
Also Known As: Hexaphenylisomelamine, (tert-Butyldioxy)methanol, Methanol, (tert-butyldioxy)-, BAS 00024817, 2-N,4-N,6-N,1,3,5-hexakis-phenyl-1,3,5-triazinane-2,4,6-triimine
| Molecular Formula | C39H30N6 |
|---|---|
| Molecular Weight | 582.25 g/mol |
| LogP | 9.6 |
| Topological Polar Surface Area | 46.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 582.2532 |
| Heavy Atoms | 45 |
| Complexity | 846.0 |
Chemical Identifiers
| CAS Number | 604-45-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)N=C2N(C(=NC3=CC=CC=C3)N(C(=NC4=CC=CC=C4)N2C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7 |
| InChIKey | MBZKVOZDQXHTIK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexaphenylisomelamine (CAS 604-45-5), with molecular formula C39H30N6 and molecular weight 582.25 g/mol. IUPAC: 2-N,4-N,6-N,1,3,5-hexakis-phenyl-1,3,5-triazinane-2,4,6-triimine.
Chemical Property Profile of Hexaphenylisomelamine
Property Insights of Hexaphenylisomelamine
The XLogP value of 9.6 indicates that Hexaphenylisomelamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.8 Ų, Hexaphenylisomelamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexaphenylisomelamine has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hexaphenylisomelamine?
The CAS number of Hexaphenylisomelamine is 604-45-5.
What is the molecular formula of Hexaphenylisomelamine?
The molecular formula of Hexaphenylisomelamine is C39H30N6.
What is the molecular weight of Hexaphenylisomelamine?
The molecular weight of Hexaphenylisomelamine is 582.25 g/mol.
Where can I buy Hexaphenylisomelamine?
You can request a quote for Hexaphenylisomelamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexaphenylisomelamine?
Yes, KEHONG BIO provides custom synthesis services for Hexaphenylisomelamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.