Toluene-2,4,6-triyl triisocyanate
TL;DR: Toluene-2,4,6-triyl triisocyanate (CAS 7373-26-4) is a chemical compound with molecular formula C10H5N3O3 and molecular weight 215.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,5-triisocyanato-2-methylbenzene
Also Known As: 1,3,5-triisocyanato-2-methylbenzene, Toluene-2,4,6-triyl triisocyanate, 2,4,6-trisisocyanatotoluene, 2-Methyl-benzen-1,3,5-triyltriisocyanat, 2-Methylbenzene-1,3,5-triyltrisisocyanate
| Molecular Formula | C10H5N3O3 |
|---|---|
| Molecular Weight | 215.03 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 88.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 215.0331 |
| Heavy Atoms | 16 |
| Complexity | 362.0 |
Chemical Identifiers
| CAS Number | 7373-26-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1N=C=O)N=C=O)N=C=O |
| InChIKey | PFUKECZPRROVOD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Toluene-2,4,6-triyl triisocyanate (CAS 7373-26-4), with molecular formula C10H5N3O3 and molecular weight 215.03 g/mol. IUPAC: 1,3,5-triisocyanato-2-methylbenzene.
Chemical Property Profile of Toluene-2,4,6-triyl triisocyanate
Property Insights of Toluene-2,4,6-triyl triisocyanate
The XLogP value of 4.7 indicates that Toluene-2,4,6-triyl triisocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Toluene-2,4,6-triyl triisocyanate. Following Lipinski's Rule of Five, Toluene-2,4,6-triyl triisocyanate has 0 hydrogen bond donor(s) and 6 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 Toluene-2,4,6-triyl triisocyanate?
The CAS number of Toluene-2,4,6-triyl triisocyanate is 7373-26-4.
What is the molecular formula of Toluene-2,4,6-triyl triisocyanate?
The molecular formula of Toluene-2,4,6-triyl triisocyanate is C10H5N3O3.
What is the molecular weight of Toluene-2,4,6-triyl triisocyanate?
The molecular weight of Toluene-2,4,6-triyl triisocyanate is 215.03 g/mol.
Where can I buy Toluene-2,4,6-triyl triisocyanate?
You can request a quote for Toluene-2,4,6-triyl triisocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Toluene-2,4,6-triyl triisocyanate?
Yes, KEHONG BIO provides custom synthesis services for Toluene-2,4,6-triyl triisocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.