Phosphonic acid, (1,1-dichloroethyl)-, bis(5-methyl-2-nitrophenyl) ester
TL;DR: Phosphonic acid, (1,1-dichloroethyl)-, bis(5-methyl-2-nitrophenyl) ester (CAS 76569-06-7) is a chemical compound with molecular formula C16H15Cl2N2O7P and molecular weight 448.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1,1-dichloroethyl-(5-methyl-2-nitrophenoxy)phosphoryl]oxy-4-methyl-1-nitrobenzene
Also Known As: Phosphonic acid, (1,1-dichloroethyl)-, bis(5-methyl-2-nitrophenyl) ester, Bis(5-methyl-2-nitrophenyl) (1,1-dichloroethyl)phosphonate, 2-[1,1-dichloroethyl-(5-methyl-2-nitrophenoxy)phosphoryl]oxy-4-methyl-1-nitrobenzene
| Molecular Formula | C16H15Cl2N2O7P |
|---|---|
| Molecular Weight | 448.00 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 447.9994 |
| Heavy Atoms | 28 |
| Complexity | 595.0 |
Chemical Identifiers
| CAS Number | 76569-06-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)[N+](=O)[O-])OP(=O)(C(C)(Cl)Cl)OC2=C(C=CC(=C2)C)[N+](=O)[O-] |
| InChIKey | OGBBBHGNTISQBK-UHFFFAOYSA-N |
Product Overview
Phosphonic acid, (1,1-dichloroethyl)-, bis(5-methyl-2-nitrophenyl) ester (CAS 76569-06-7), with molecular formula C16H15Cl2N2O7P and molecular weight 448.00 g/mol. IUPAC: 2-[1,1-dichloroethyl-(5-methyl-2-nitrophenoxy)phosphoryl]oxy-4-methyl-1-nitrobenzene.
Chemical Property Profile of Phosphonic acid, (1,1-dichloroethyl)-, bis(5-methyl-2-nitrophenyl) ester
Property Insights of Phosphonic acid, (1,1-dichloroethyl)-, bis(5-methyl-2-nitrophenyl) ester
The XLogP value of 5.1 indicates that Phosphonic acid, (1,1-dichloroethyl)-, bis(5-methyl-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(5-methyl-2-nitrophenyl) ester. Following Lipinski's Rule of Five, Phosphonic acid, (1,1-dichloroethyl)-, bis(5-methyl-2-nitrophenyl) ester has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phosphonic acid, (1,1-dichloroethyl)-, bis(5-methyl-2-nitrophenyl) ester?
The CAS number of Phosphonic acid, (1,1-dichloroethyl)-, bis(5-methyl-2-nitrophenyl) ester is 76569-06-7.
What is the molecular formula of Phosphonic acid, (1,1-dichloroethyl)-, bis(5-methyl-2-nitrophenyl) ester?
The molecular formula of Phosphonic acid, (1,1-dichloroethyl)-, bis(5-methyl-2-nitrophenyl) ester is C16H15Cl2N2O7P.
What is the molecular weight of Phosphonic acid, (1,1-dichloroethyl)-, bis(5-methyl-2-nitrophenyl) ester?
The molecular weight of Phosphonic acid, (1,1-dichloroethyl)-, bis(5-methyl-2-nitrophenyl) ester is 448.00 g/mol.
Where can I buy Phosphonic acid, (1,1-dichloroethyl)-, bis(5-methyl-2-nitrophenyl) ester?
You can request a quote for Phosphonic acid, (1,1-dichloroethyl)-, bis(5-methyl-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(5-methyl-2-nitrophenyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphonic acid, (1,1-dichloroethyl)-, bis(5-methyl-2-nitrophenyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.