三(邻氯苯基)磷酸酯
TL;DR: 三(邻氯苯基)磷酸酯 (CAS 631-44-7) is a chemical compound with molecular formula C18H12Cl3O4P and molecular weight 427.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
三(邻氯苯基)磷酸酯
tris(2-chlorophenyl) phosphate
Also Known As: Phosphen 8, 2-Oxopropiononitrile, Tris(o-chlorophenyl) phosphate, tris(2-chlorophenyl) phosphate, Tri-(o-chlorphenyl)-phosphat
| Molecular Formula | C18H12Cl3O4P |
|---|---|
| Molecular Weight | 427.95 g/mol |
| LogP | 6.8 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 427.9539 |
| Heavy Atoms | 26 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 631-44-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)OP(=O)(OC2=CC=CC=C2Cl)OC3=CC=CC=C3Cl)Cl |
| InChIKey | LFRFOEVCFVCHEV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
三(邻氯苯基)磷酸酯 (CAS 631-44-7), with molecular formula C18H12Cl3O4P and molecular weight 427.95 g/mol. IUPAC: tris(2-chlorophenyl) phosphate.
Chemical Property Profile of 三(邻氯苯基)磷酸酯
Property Insights of 三(邻氯苯基)磷酸酯
The XLogP value of 6.8 indicates that 三(邻氯苯基)磷酸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, 三(邻氯苯基)磷酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 三(邻氯苯基)磷酸酯 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 三(邻氯苯基)磷酸酯?
The CAS number of 三(邻氯苯基)磷酸酯 is 631-44-7.
What is the molecular formula of 三(邻氯苯基)磷酸酯?
The molecular formula of 三(邻氯苯基)磷酸酯 is C18H12Cl3O4P.
What is the molecular weight of 三(邻氯苯基)磷酸酯?
The molecular weight of 三(邻氯苯基)磷酸酯 is 427.95 g/mol.
Where can I buy 三(邻氯苯基)磷酸酯?
You can request a quote for 三(邻氯苯基)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(邻氯苯基)磷酸酯?
Yes, KEHONG BIO provides custom synthesis services for 三(邻氯苯基)磷酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.