2,4-Toluene diisocyanate dimer
TL;DR: 2,4-Toluene diisocyanate dimer (CAS 26747-90-0) is a chemical compound with molecular formula C18H12N4O4 and molecular weight 348.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis(3-isocyanato-4-methylphenyl)-1,3-diazetidine-2,4-dione
Also Known As: TDIC, Toluene diisocyanate dimer, 2,4-TDI dimer, 2,4-Toluene diisocyanate dimer, Toluene-2,4-diisocyanate
| Molecular Formula | C18H12N4O4 |
|---|---|
| Molecular Weight | 348.09 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 99.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 348.08585 |
| Heavy Atoms | 26 |
| Complexity | 609.0 |
Chemical Identifiers
| CAS Number | 26747-90-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C(=O)N(C2=O)C3=CC(=C(C=C3)C)N=C=O)N=C=O |
| InChIKey | LOCPTSFJZDIICR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-Toluene diisocyanate dimer (CAS 26747-90-0), with molecular formula C18H12N4O4 and molecular weight 348.09 g/mol. IUPAC: 1,3-bis(3-isocyanato-4-methylphenyl)-1,3-diazetidine-2,4-dione.
Chemical Property Profile of 2,4-Toluene diisocyanate dimer
Property Insights of 2,4-Toluene diisocyanate dimer
The XLogP value of 5.0 indicates that 2,4-Toluene diisocyanate dimer is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Toluene diisocyanate dimer. Following Lipinski's Rule of Five, 2,4-Toluene diisocyanate dimer 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 2,4-Toluene diisocyanate dimer?
The CAS number of 2,4-Toluene diisocyanate dimer is 26747-90-0.
What is the molecular formula of 2,4-Toluene diisocyanate dimer?
The molecular formula of 2,4-Toluene diisocyanate dimer is C18H12N4O4.
What is the molecular weight of 2,4-Toluene diisocyanate dimer?
The molecular weight of 2,4-Toluene diisocyanate dimer is 348.09 g/mol.
Where can I buy 2,4-Toluene diisocyanate dimer?
You can request a quote for 2,4-Toluene diisocyanate dimer directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Toluene diisocyanate dimer?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Toluene diisocyanate dimer and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.