2,6-Bis(o-isocyanatobenzyl)phenyl isocyanate
TL;DR: 2,6-Bis(o-isocyanatobenzyl)phenyl isocyanate (CAS 21132-81-0) is a chemical compound with molecular formula C23H15N3O3 and molecular weight 381.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-isocyanato-1,3-bis[(2-isocyanatophenyl)methyl]benzene
Also Known As: Pazoxidum [INN-Latin], 2,6-bis phenylisocyanate, 2,6-Bis(o-isocyanatobenzyl)phenyl isocyanate, 2-isocyanato-1,3-bis(2-isocyanatobenzyl)benzene, 2,6-Bis-(o-isocyanatobenzyl)phenyl isocyanate
| Molecular Formula | C23H15N3O3 |
|---|---|
| Molecular Weight | 381.11 g/mol |
| LogP | 8.2 |
| Topological Polar Surface Area | 88.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 381.11133 |
| Heavy Atoms | 29 |
| Complexity | 629.0 |
Chemical Identifiers
| CAS Number | 21132-81-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CC2=C(C(=CC=C2)CC3=CC=CC=C3N=C=O)N=C=O)N=C=O |
| InChIKey | BNOSAGKHYAMZGF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,6-Bis(o-isocyanatobenzyl)phenyl isocyanate (CAS 21132-81-0), with molecular formula C23H15N3O3 and molecular weight 381.11 g/mol. IUPAC: 2-isocyanato-1,3-bis[(2-isocyanatophenyl)methyl]benzene.
Chemical Property Profile of 2,6-Bis(o-isocyanatobenzyl)phenyl isocyanate
Property Insights of 2,6-Bis(o-isocyanatobenzyl)phenyl isocyanate
The XLogP value of 8.2 indicates that 2,6-Bis(o-isocyanatobenzyl)phenyl isocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6-Bis(o-isocyanatobenzyl)phenyl isocyanate. Following Lipinski's Rule of Five, 2,6-Bis(o-isocyanatobenzyl)phenyl isocyanate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,6-Bis(o-isocyanatobenzyl)phenyl isocyanate?
The CAS number of 2,6-Bis(o-isocyanatobenzyl)phenyl isocyanate is 21132-81-0.
What is the molecular formula of 2,6-Bis(o-isocyanatobenzyl)phenyl isocyanate?
The molecular formula of 2,6-Bis(o-isocyanatobenzyl)phenyl isocyanate is C23H15N3O3.
What is the molecular weight of 2,6-Bis(o-isocyanatobenzyl)phenyl isocyanate?
The molecular weight of 2,6-Bis(o-isocyanatobenzyl)phenyl isocyanate is 381.11 g/mol.
Where can I buy 2,6-Bis(o-isocyanatobenzyl)phenyl isocyanate?
You can request a quote for 2,6-Bis(o-isocyanatobenzyl)phenyl isocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Bis(o-isocyanatobenzyl)phenyl isocyanate?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Bis(o-isocyanatobenzyl)phenyl isocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.