Tris(4-isocyanatophenyl) phosphate
TL;DR: Tris(4-isocyanatophenyl) phosphate (CAS 18436-30-1) is a chemical compound with molecular formula C21H12N3O7P and molecular weight 449.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tris(4-isocyanatophenyl) phosphate
Also Known As: tris(4-isocyanatophenyl) phosphate, phosphoric acid tris-(4-isocyanato-phenyl) ester, 1-bis(4-isocyanatophenoxy)phosphoryloxy-4-isocyanato-benzene
| Molecular Formula | C21H12N3O7P |
|---|---|
| Molecular Weight | 449.04 g/mol |
| LogP | 5.2334 |
| Topological Polar Surface Area | 133.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 449.0413 |
| Heavy Atoms | 32 |
| Complexity | 1112.001 |
Chemical Identifiers
| CAS Number | 18436-30-1 |
|---|---|
| SMILES | C1=CC(=CC=C1N=C=O)OP(=O)(OC2=CC=C(C=C2)N=C=O)OC3=CC=C(C=C3)N=C=O |
Product Overview
Tris(4-isocyanatophenyl) phosphate (CAS 18436-30-1), with molecular formula C21H12N3O7P and molecular weight 449.04 g/mol. IUPAC: tris(4-isocyanatophenyl) phosphate.
Chemical Property Profile of Tris(4-isocyanatophenyl) phosphate
Property Insights of Tris(4-isocyanatophenyl) phosphate
The XLogP value of 5.2334 indicates that Tris(4-isocyanatophenyl) phosphate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 133.05 Ų falls within the moderate polarity range, balancing permeability and solubility for Tris(4-isocyanatophenyl) phosphate. Following Lipinski's Rule of Five, Tris(4-isocyanatophenyl) phosphate has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tris(4-isocyanatophenyl) phosphate?
The CAS number of Tris(4-isocyanatophenyl) phosphate is 18436-30-1.
What is the molecular formula of Tris(4-isocyanatophenyl) phosphate?
The molecular formula of Tris(4-isocyanatophenyl) phosphate is C21H12N3O7P.
What is the molecular weight of Tris(4-isocyanatophenyl) phosphate?
The molecular weight of Tris(4-isocyanatophenyl) phosphate is 449.04 g/mol.
Where can I buy Tris(4-isocyanatophenyl) phosphate?
You can request a quote for Tris(4-isocyanatophenyl) phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tris(4-isocyanatophenyl) phosphate?
Yes, KEHONG BIO provides custom synthesis services for Tris(4-isocyanatophenyl) phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.