4,4'-Biphenyldiisocyanate
TL;DR: 4,4'-Biphenyldiisocyanate (CAS 2761-22-0) is a chemical compound with molecular formula C14H8N2O2 and molecular weight 236.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-isocyanato-4-(4-isocyanatophenyl)benzene
Also Known As: 4,4'-Biphenyldiisocyanate, 4,4 -Diisocyanatobiphenyl, 4,4'-diisocyanato-1,1'-biphenyl, Biphenyl-4,4 -diyldiisocyanate, 1-isocyanato-4-(4-isocyanatophenyl)benzene
| Molecular Formula | C14H8N2O2 |
|---|---|
| Molecular Weight | 236.06 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 58.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 236.05858 |
| Heavy Atoms | 18 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 2761-22-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=CC=C(C=C2)N=C=O)N=C=O |
| InChIKey | RQBUVIFBALZGPC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4'-Biphenyldiisocyanate (CAS 2761-22-0), with molecular formula C14H8N2O2 and molecular weight 236.06 g/mol. IUPAC: 1-isocyanato-4-(4-isocyanatophenyl)benzene.
Chemical Property Profile of 4,4'-Biphenyldiisocyanate
Property Insights of 4,4'-Biphenyldiisocyanate
The XLogP value of 4.3 indicates that 4,4'-Biphenyldiisocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.9 Ų, 4,4'-Biphenyldiisocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4'-Biphenyldiisocyanate has 0 hydrogen bond donor(s) and 4 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 4,4'-Biphenyldiisocyanate?
The CAS number of 4,4'-Biphenyldiisocyanate is 2761-22-0.
What is the molecular formula of 4,4'-Biphenyldiisocyanate?
The molecular formula of 4,4'-Biphenyldiisocyanate is C14H8N2O2.
What is the molecular weight of 4,4'-Biphenyldiisocyanate?
The molecular weight of 4,4'-Biphenyldiisocyanate is 236.06 g/mol.
Where can I buy 4,4'-Biphenyldiisocyanate?
You can request a quote for 4,4'-Biphenyldiisocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-Biphenyldiisocyanate?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-Biphenyldiisocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.