Phosphonic acid, (1-(acetyloxy)-2,2,2-trichloroethyl)-, diphenyl ester
TL;DR: Phosphonic acid, (1-(acetyloxy)-2,2,2-trichloroethyl)-, diphenyl ester (CAS 74548-80-4) is a chemical compound with molecular formula C16H14Cl3O5P and molecular weight 421.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,2,2-trichloro-1-diphenoxyphosphorylethyl) acetate
Also Known As: APHOS, O,O-Diphenyl phosphonate, (2,2,2-trichloro-1-diphenoxyphosphorylethyl) acetate, O,O-Diphenyl (1-acetoxy-2,2,2-trichloroethyl)phosphonate, 2,2,2-trichloro-1-(diphenoxyphosphoryl)ethyl acetate
| Molecular Formula | C16H14Cl3O5P |
|---|---|
| Molecular Weight | 421.96 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 421.96445 |
| Heavy Atoms | 25 |
| Complexity | 461.0 |
Chemical Identifiers
| CAS Number | 74548-80-4 |
|---|---|
| SMILES | CC(=O)OC(C(Cl)(Cl)Cl)P(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2 |
| InChIKey | RJUFATJOENABQE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phosphonic acid, (1-(acetyloxy)-2,2,2-trichloroethyl)-, diphenyl ester (CAS 74548-80-4), with molecular formula C16H14Cl3O5P and molecular weight 421.96 g/mol. IUPAC: (2,2,2-trichloro-1-diphenoxyphosphorylethyl) acetate.
Chemical Property Profile of Phosphonic acid, (1-(acetyloxy)-2,2,2-trichloroethyl)-, diphenyl ester
Property Insights of Phosphonic acid, (1-(acetyloxy)-2,2,2-trichloroethyl)-, diphenyl ester
The XLogP value of 5.0 indicates that Phosphonic acid, (1-(acetyloxy)-2,2,2-trichloroethyl)-, diphenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphonic acid, (1-(acetyloxy)-2,2,2-trichloroethyl)-, diphenyl ester. Following Lipinski's Rule of Five, Phosphonic acid, (1-(acetyloxy)-2,2,2-trichloroethyl)-, diphenyl ester has 0 hydrogen bond donor(s) and 5 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 Phosphonic acid, (1-(acetyloxy)-2,2,2-trichloroethyl)-, diphenyl ester?
The CAS number of Phosphonic acid, (1-(acetyloxy)-2,2,2-trichloroethyl)-, diphenyl ester is 74548-80-4.
What is the molecular formula of Phosphonic acid, (1-(acetyloxy)-2,2,2-trichloroethyl)-, diphenyl ester?
The molecular formula of Phosphonic acid, (1-(acetyloxy)-2,2,2-trichloroethyl)-, diphenyl ester is C16H14Cl3O5P.
What is the molecular weight of Phosphonic acid, (1-(acetyloxy)-2,2,2-trichloroethyl)-, diphenyl ester?
The molecular weight of Phosphonic acid, (1-(acetyloxy)-2,2,2-trichloroethyl)-, diphenyl ester is 421.96 g/mol.
Where can I buy Phosphonic acid, (1-(acetyloxy)-2,2,2-trichloroethyl)-, diphenyl ester?
You can request a quote for Phosphonic acid, (1-(acetyloxy)-2,2,2-trichloroethyl)-, diphenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphonic acid, (1-(acetyloxy)-2,2,2-trichloroethyl)-, diphenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphonic acid, (1-(acetyloxy)-2,2,2-trichloroethyl)-, diphenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.