Phosphonic acid, (1,1-dichloroethyl)-, bis(2-nitrophenyl) ester
TL;DR: Phosphonic acid, (1,1-dichloroethyl)-, bis(2-nitrophenyl) ester (CAS 76568-98-4) is a chemical compound with molecular formula C14H11Cl2N2O7P and molecular weight 419.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1,1-dichloroethyl-(2-nitrophenoxy)phosphoryl]oxy-2-nitrobenzene
Also Known As: Phosphonic acid, (1,1-dichloroethyl)-, bis(2-nitrophenyl) ester, bis(2-nitrophenyl) (1,1-dichloroethyl)phosphonate, 1,1-Dichloroethylphosphonic acid di(2-nitrophenyl) ester, 1-[1,1-dichloroethyl-(2-nitrophenoxy)phosphoryl]oxy-2-nitrobenzene
| Molecular Formula | C14H11Cl2N2O7P |
|---|---|
| Molecular Weight | 419.97 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 419.96808 |
| Heavy Atoms | 26 |
| Complexity | 541.0 |
Chemical Identifiers
| CAS Number | 76568-98-4 |
|---|---|
| SMILES | CC(P(=O)(OC1=CC=CC=C1[N+](=O)[O-])OC2=CC=CC=C2[N+](=O)[O-])(Cl)Cl |
| InChIKey | WOMNUSFJIBOEOO-UHFFFAOYSA-N |
Product Overview
Phosphonic acid, (1,1-dichloroethyl)-, bis(2-nitrophenyl) ester (CAS 76568-98-4), with molecular formula C14H11Cl2N2O7P and molecular weight 419.97 g/mol. IUPAC: 1-[1,1-dichloroethyl-(2-nitrophenoxy)phosphoryl]oxy-2-nitrobenzene.
Chemical Property Profile of Phosphonic acid, (1,1-dichloroethyl)-, bis(2-nitrophenyl) ester
Property Insights of Phosphonic acid, (1,1-dichloroethyl)-, bis(2-nitrophenyl) ester
The XLogP value of 4.4 indicates that Phosphonic acid, (1,1-dichloroethyl)-, bis(2-nitrophenyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphonic acid, (1,1-dichloroethyl)-, bis(2-nitrophenyl) ester. Following Lipinski's Rule of Five, Phosphonic acid, (1,1-dichloroethyl)-, bis(2-nitrophenyl) ester has 0 hydrogen bond donor(s) and 7 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)-, bis(2-nitrophenyl) ester?
The CAS number of Phosphonic acid, (1,1-dichloroethyl)-, bis(2-nitrophenyl) ester is 76568-98-4.
What is the molecular formula of Phosphonic acid, (1,1-dichloroethyl)-, bis(2-nitrophenyl) ester?
The molecular formula of Phosphonic acid, (1,1-dichloroethyl)-, bis(2-nitrophenyl) ester is C14H11Cl2N2O7P.
What is the molecular weight of Phosphonic acid, (1,1-dichloroethyl)-, bis(2-nitrophenyl) ester?
The molecular weight of Phosphonic acid, (1,1-dichloroethyl)-, bis(2-nitrophenyl) ester is 419.97 g/mol.
Where can I buy Phosphonic acid, (1,1-dichloroethyl)-, bis(2-nitrophenyl) ester?
You can request a quote for Phosphonic acid, (1,1-dichloroethyl)-, bis(2-nitrophenyl) 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)-, bis(2-nitrophenyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphonic acid, (1,1-dichloroethyl)-, bis(2-nitrophenyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.