1,1'-Oxybis(4-isocyanatobenzene)
TL;DR: 1,1'-Oxybis(4-isocyanatobenzene) (CAS 4128-73-8) is a chemical compound with molecular formula C14H8N2O3 and molecular weight 252.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-isocyanato-4-(4-isocyanatophenoxy)benzene
Also Known As: 4,4'-Diisocyanatodiphenyl ether, di(isocyanatophenyl)ether, 1,1'-OXYBIS(4-ISOCYANATOBENZENE), 4,4'-Oxybis(phenyl isocyanate), 1-isocyanato-4-(4-isocyanatophenoxy)benzene
| Molecular Formula | C14H8N2O3 |
|---|---|
| Molecular Weight | 252.05 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 68.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 252.0535 |
| Heavy Atoms | 19 |
| Complexity | 334.0 |
Chemical Identifiers
| CAS Number | 4128-73-8 |
|---|---|
| SMILES | C1=CC(=CC=C1N=C=O)OC2=CC=C(C=C2)N=C=O |
| InChIKey | KDLIYVDINLSKGR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1'-Oxybis(4-isocyanatobenzene) (CAS 4128-73-8), with molecular formula C14H8N2O3 and molecular weight 252.05 g/mol. IUPAC: 1-isocyanato-4-(4-isocyanatophenoxy)benzene.
Chemical Property Profile of 1,1'-Oxybis(4-isocyanatobenzene)
Property Insights of 1,1'-Oxybis(4-isocyanatobenzene)
The XLogP value of 5.1 indicates that 1,1'-Oxybis(4-isocyanatobenzene) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1'-Oxybis(4-isocyanatobenzene). Following Lipinski's Rule of Five, 1,1'-Oxybis(4-isocyanatobenzene) has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,1'-Oxybis(4-isocyanatobenzene)?
The CAS number of 1,1'-Oxybis(4-isocyanatobenzene) is 4128-73-8.
What is the molecular formula of 1,1'-Oxybis(4-isocyanatobenzene)?
The molecular formula of 1,1'-Oxybis(4-isocyanatobenzene) is C14H8N2O3.
What is the molecular weight of 1,1'-Oxybis(4-isocyanatobenzene)?
The molecular weight of 1,1'-Oxybis(4-isocyanatobenzene) is 252.05 g/mol.
Where can I buy 1,1'-Oxybis(4-isocyanatobenzene)?
You can request a quote for 1,1'-Oxybis(4-isocyanatobenzene) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1'-Oxybis(4-isocyanatobenzene)?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-Oxybis(4-isocyanatobenzene) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.