Dibenyldiisocyanate
TL;DR: Dibenyldiisocyanate (CAS 1034-24-8) is a chemical compound with molecular formula C16H12N2O2 and molecular weight 264.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C16H12N2O2 |
|---|---|
| Molecular Weight | 264.09 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 58.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 264.08987 |
| Heavy Atoms | 20 |
| Complexity | 343.0 |
Chemical Identifiers
| CAS Number | 1034-24-8 |
|---|---|
| SMILES | C1=CC(=CC=C1CCC2=CC=C(C=C2)N=C=O)N=C=O |
| InChIKey | DISUAGIHWSSUGM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dibenyldiisocyanate (CAS 1034-24-8), with molecular formula C16H12N2O2 and molecular weight 264.09 g/mol. IUPAC: 1-isocyanato-4-[2-(4-isocyanatophenyl)ethyl]benzene.
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
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 264.09 g/mol.
Where can I buy Dibenyldiisocyanate?
You can request a quote for Dibenyldiisocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibenyldiisocyanate?
Yes, KEHONG BIO provides custom synthesis services for Dibenyldiisocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.