Bis(4-chlorophenyl) (chloromethyl)phosphonate
TL;DR: Bis(4-chlorophenyl) (chloromethyl)phosphonate (CAS 66392-83-4) is a chemical compound with molecular formula C13H10Cl3O3P and molecular weight 349.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-4-[chloromethyl-(4-chlorophenoxy)phosphoryl]oxybenzene
Also Known As: Bis(4-chlorophenyl) (chloromethyl)phosphonate, Phosphonic acid, chloromethyl-, bis(4-chlorophenyl) ester, 1-chloro-4-[chloromethyl-(4-chlorophenoxy)phosphoryl]oxybenz, 1-chloro-4-[chloromethyl-(4-chlorophenoxy)phosphoryl]oxybenzene
| Molecular Formula | C13H10Cl3O3P |
|---|---|
| Molecular Weight | 349.94 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 349.94333 |
| Heavy Atoms | 20 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 66392-83-4 |
|---|---|
| SMILES | C1=CC(=CC=C1OP(=O)(CCl)OC2=CC=C(C=C2)Cl)Cl |
| InChIKey | BCJSMEBHAUEMOB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bis(4-chlorophenyl) (chloromethyl)phosphonate (CAS 66392-83-4), with molecular formula C13H10Cl3O3P and molecular weight 349.94 g/mol. IUPAC: 1-chloro-4-[chloromethyl-(4-chlorophenoxy)phosphoryl]oxybenzene.
Chemical Property Profile of Bis(4-chlorophenyl) (chloromethyl)phosphonate
Property Insights of Bis(4-chlorophenyl) (chloromethyl)phosphonate
The XLogP value of 3.8 indicates that Bis(4-chlorophenyl) (chloromethyl)phosphonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Bis(4-chlorophenyl) (chloromethyl)phosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bis(4-chlorophenyl) (chloromethyl)phosphonate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bis(4-chlorophenyl) (chloromethyl)phosphonate?
The CAS number of Bis(4-chlorophenyl) (chloromethyl)phosphonate is 66392-83-4.
What is the molecular formula of Bis(4-chlorophenyl) (chloromethyl)phosphonate?
The molecular formula of Bis(4-chlorophenyl) (chloromethyl)phosphonate is C13H10Cl3O3P.
What is the molecular weight of Bis(4-chlorophenyl) (chloromethyl)phosphonate?
The molecular weight of Bis(4-chlorophenyl) (chloromethyl)phosphonate is 349.94 g/mol.
Where can I buy Bis(4-chlorophenyl) (chloromethyl)phosphonate?
You can request a quote for Bis(4-chlorophenyl) (chloromethyl)phosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(4-chlorophenyl) (chloromethyl)phosphonate?
Yes, KEHONG BIO provides custom synthesis services for Bis(4-chlorophenyl) (chloromethyl)phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.