Dibenyldiisocyanate
TL;DR: Dibenyldiisocyanate (CAS 1034-24-8) is a chemical compound with molecular formula C16H12N2O2 and molecular weight 264.08987 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-isocyanato-4-[2-(4-isocyanatophenyl)ethyl]benzene
Also Known As: Dibenyldiisocyanate, 4,4'-Dibenzyl-diisocyanat, 4,4 -Bibenzyldiyldiisocyanate, KST-1A9675, 1,2-bis(4-isocyanatophenyl)ethane
Application Areas
Top 5 of 19 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C16H12N2O2 |
| Molecular Weight | 264.08987 g/mol |
| XLogP | 5.7 |
| Topological Polar Surface Area (TPSA) | 58.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 264.08987 Da |
| Heavy Atoms | 20 |
| Complexity | 343.0 |
| SMILES | C1=CC(=CC=C1CCC2=CC=C(C=C2)N=C=O)N=C=O |
| InChIKey | DISUAGIHWSSUGM-UHFFFAOYSA-N |
Chemical Property Profile of Dibenyldiisocyanate
Property Insights of Dibenyldiisocyanate
The XLogP value of 5.7 indicates that Dibenyldiisocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.9 Ų, Dibenyldiisocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dibenyldiisocyanate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Dibenyldiisocyanate?
The CAS number of Dibenyldiisocyanate is 1034-24-8.
What is the molecular formula of Dibenyldiisocyanate?
The molecular formula of Dibenyldiisocyanate is C16H12N2O2.
What is the molecular weight of Dibenyldiisocyanate?
The molecular weight of Dibenyldiisocyanate is 264.08987 g/mol.
Where can I buy Dibenyldiisocyanate?
You can request a quote for Dibenyldiisocyanate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Dibenyldiisocyanate?
Yes, CoreyChem provides custom synthesis services for Dibenyldiisocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.