Phosphonic acid, (1,1-dichloroethyl)-, diphenyl ester
TL;DR: Phosphonic acid, (1,1-dichloroethyl)-, diphenyl ester (CAS 76568-93-9) is a chemical compound with molecular formula C14H13Cl2O3P and molecular weight 330.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1,1-dichloroethyl(phenoxy)phosphoryl]oxybenzene
Also Known As: Phosphonic acid, (1,1-dichloroethyl)-, diphenyl ester, diphenyl (1,1-dichloroethyl)phosphonate, [1,1-dichloroethyl(phenoxy)phosphoryl]oxybenzene
| Molecular Formula | C14H13Cl2O3P |
|---|---|
| Molecular Weight | 330.00 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 329.99792 |
| Heavy Atoms | 20 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 76568-93-9 |
|---|---|
| SMILES | CC(P(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2)(Cl)Cl |
| InChIKey | AGBANLOEGXKWLE-UHFFFAOYSA-N |
Product Overview
Phosphonic acid, (1,1-dichloroethyl)-, diphenyl ester (CAS 76568-93-9), with molecular formula C14H13Cl2O3P and molecular weight 330.00 g/mol. IUPAC: [1,1-dichloroethyl(phenoxy)phosphoryl]oxybenzene.
Chemical Property Profile of Phosphonic acid, (1,1-dichloroethyl)-, diphenyl ester
Property Insights of Phosphonic acid, (1,1-dichloroethyl)-, diphenyl ester
The XLogP value of 4.7 indicates that Phosphonic acid, (1,1-dichloroethyl)-, diphenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Phosphonic acid, (1,1-dichloroethyl)-, diphenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphonic acid, (1,1-dichloroethyl)-, diphenyl ester 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 Phosphonic acid, (1,1-dichloroethyl)-, diphenyl ester?
The CAS number of Phosphonic acid, (1,1-dichloroethyl)-, diphenyl ester is 76568-93-9.
What is the molecular formula of Phosphonic acid, (1,1-dichloroethyl)-, diphenyl ester?
The molecular formula of Phosphonic acid, (1,1-dichloroethyl)-, diphenyl ester is C14H13Cl2O3P.
What is the molecular weight of Phosphonic acid, (1,1-dichloroethyl)-, diphenyl ester?
The molecular weight of Phosphonic acid, (1,1-dichloroethyl)-, diphenyl ester is 330.00 g/mol.
Where can I buy Phosphonic acid, (1,1-dichloroethyl)-, diphenyl ester?
You can request a quote for Phosphonic acid, (1,1-dichloroethyl)-, 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, (1,1-dichloroethyl)-, diphenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphonic acid, (1,1-dichloroethyl)-, diphenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.