三(4-异氰酸苯基)硫代磷酸酯
TL;DR: 三(4-异氰酸苯基)硫代磷酸酯 (CAS 4151-51-3) is a chemical compound with molecular formula C21H12N3O6PS and molecular weight 465.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
三(4-异氰酸苯基)硫代磷酸酯
tris(4-isocyanatophenoxy)-sulfanylidene-λ5-phosphane
Also Known As: Tris(4-isocyanatophenyl) thiophosphate, Tris(4-isocyanatophenyl)thiophosphate, Tris(p-isocyanatophenyl) thiophosphate, TRIS(P-ISOCYANATOPHENYL), N-Ethyl perfluorooctanesulfonamide
| Molecular Formula | C21H12N3O6PS |
|---|---|
| Molecular Weight | 465.02 g/mol |
| LogP | 9.1 |
| Topological Polar Surface Area | 148.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 465.01843 |
| Heavy Atoms | 32 |
| Complexity | 696.0 |
Chemical Identifiers
| CAS Number | 4151-51-3 |
|---|---|
| SMILES | C1=CC(=CC=C1N=C=O)OP(=S)(OC2=CC=C(C=C2)N=C=O)OC3=CC=C(C=C3)N=C=O |
| InChIKey | KGLSETWPYVUTQX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
三(4-异氰酸苯基)硫代磷酸酯 (CAS 4151-51-3), with molecular formula C21H12N3O6PS and molecular weight 465.02 g/mol. IUPAC: tris(4-isocyanatophenoxy)-sulfanylidene-λ5-phosphane.
Chemical Property Profile of 三(4-异氰酸苯基)硫代磷酸酯
Property Insights of 三(4-异氰酸苯基)硫代磷酸酯
The XLogP value of 9.1 indicates that 三(4-异氰酸苯基)硫代磷酸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 148.0 Ų indicates high polarity, suggesting 三(4-异氰酸苯基)硫代磷酸酯 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 三(4-异氰酸苯基)硫代磷酸酯 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 三(4-异氰酸苯基)硫代磷酸酯?
The CAS number of 三(4-异氰酸苯基)硫代磷酸酯 is 4151-51-3.
What is the molecular formula of 三(4-异氰酸苯基)硫代磷酸酯?
The molecular formula of 三(4-异氰酸苯基)硫代磷酸酯 is C21H12N3O6PS.
What is the molecular weight of 三(4-异氰酸苯基)硫代磷酸酯?
The molecular weight of 三(4-异氰酸苯基)硫代磷酸酯 is 465.02 g/mol.
Where can I buy 三(4-异氰酸苯基)硫代磷酸酯?
You can request a quote for 三(4-异氰酸苯基)硫代磷酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 三(4-异氰酸苯基)硫代磷酸酯?
Yes, KEHONG BIO provides custom synthesis services for 三(4-异氰酸苯基)硫代磷酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.