Diphenyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate
TL;DR: Diphenyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate (CAS 38457-67-9) is a chemical compound with molecular formula C14H12Cl3O4P and molecular weight 379.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trichloro-1-diphenoxyphosphorylethanol
Also Known As: Oxyphosphonate, 2,2,2-trichloro-1-diphenoxyphosphorylethanol, Diphenyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate, 4-06-00-00705 (Beilstein Handbook Reference), O,O-Diphenyl (1-hydroxy-2,2,2-trichloromethyl)phosphonate
| Molecular Formula | C14H12Cl3O4P |
|---|---|
| Molecular Weight | 379.95 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 379.9539 |
| Heavy Atoms | 22 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 38457-67-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)OP(=O)(C(C(Cl)(Cl)Cl)O)OC2=CC=CC=C2 |
| InChIKey | WRXPIPRGTJQQQA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diphenyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate (CAS 38457-67-9), with molecular formula C14H12Cl3O4P and molecular weight 379.95 g/mol. IUPAC: 2,2,2-trichloro-1-diphenoxyphosphorylethanol.
Chemical Property Profile of Diphenyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate
Property Insights of Diphenyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate
The XLogP value of 4.4 indicates that Diphenyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, Diphenyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diphenyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate has 1 hydrogen bond donor(s) and 4 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 Diphenyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate?
The CAS number of Diphenyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate is 38457-67-9.
What is the molecular formula of Diphenyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate?
The molecular formula of Diphenyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate is C14H12Cl3O4P.
What is the molecular weight of Diphenyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate?
The molecular weight of Diphenyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate is 379.95 g/mol.
Where can I buy Diphenyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate?
You can request a quote for Diphenyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diphenyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate?
Yes, KEHONG BIO provides custom synthesis services for Diphenyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.