4,4'-(2,2-Dichloroethane-1,1-diyl)bis(2,6-dinitrophenol)
TL;DR: 4,4'-(2,2-Dichloroethane-1,1-diyl)bis(2,6-dinitrophenol) (CAS 7508-79-4) is a chemical compound with molecular formula C14H8Cl2N4O10 and molecular weight 461.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2,2-dichloro-1-(4-hydroxy-3,5-dinitrophenyl)ethyl]-2,6-dinitrophenol
Also Known As: 4,4'-(2,2-Dichloroethane-1,1-diyl)bis(2,6-dinitrophenol), 4-[2,2-dichloro-1-(4-hydroxy-3,5-dinitrophenyl)ethyl]-2,6-di, 4-[2,2-dichloro-1-(4-hydroxy-3,5-dinitrophenyl)ethyl]-2,6-dinitrophenol
| Molecular Formula | C14H8Cl2N4O10 |
|---|---|
| Molecular Weight | 461.96 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 224.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 3 |
| Exact Mass | 461.96176 |
| Heavy Atoms | 30 |
| Complexity | 588.0 |
Chemical Identifiers
| CAS Number | 7508-79-4 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])C(C2=CC(=C(C(=C2)[N+](=O)[O-])O)[N+](=O)[O-])C(Cl)Cl |
| InChIKey | SLZBQKFPPQZDOG-UHFFFAOYSA-N |
Product Overview
4,4'-(2,2-Dichloroethane-1,1-diyl)bis(2,6-dinitrophenol) (CAS 7508-79-4), with molecular formula C14H8Cl2N4O10 and molecular weight 461.96 g/mol. IUPAC: 4-[2,2-dichloro-1-(4-hydroxy-3,5-dinitrophenyl)ethyl]-2,6-dinitrophenol.
Chemical Property Profile of 4,4'-(2,2-Dichloroethane-1,1-diyl)bis(2,6-dinitrophenol)
Property Insights of 4,4'-(2,2-Dichloroethane-1,1-diyl)bis(2,6-dinitrophenol)
The XLogP value of 4.7 indicates that 4,4'-(2,2-Dichloroethane-1,1-diyl)bis(2,6-dinitrophenol) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 224.0 Ų indicates high polarity, suggesting 4,4'-(2,2-Dichloroethane-1,1-diyl)bis(2,6-dinitrophenol) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4,4'-(2,2-Dichloroethane-1,1-diyl)bis(2,6-dinitrophenol) has 2 hydrogen bond donor(s) and 10 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 4,4'-(2,2-Dichloroethane-1,1-diyl)bis(2,6-dinitrophenol)?
The CAS number of 4,4'-(2,2-Dichloroethane-1,1-diyl)bis(2,6-dinitrophenol) is 7508-79-4.
What is the molecular formula of 4,4'-(2,2-Dichloroethane-1,1-diyl)bis(2,6-dinitrophenol)?
The molecular formula of 4,4'-(2,2-Dichloroethane-1,1-diyl)bis(2,6-dinitrophenol) is C14H8Cl2N4O10.
What is the molecular weight of 4,4'-(2,2-Dichloroethane-1,1-diyl)bis(2,6-dinitrophenol)?
The molecular weight of 4,4'-(2,2-Dichloroethane-1,1-diyl)bis(2,6-dinitrophenol) is 461.96 g/mol.
Where can I buy 4,4'-(2,2-Dichloroethane-1,1-diyl)bis(2,6-dinitrophenol)?
You can request a quote for 4,4'-(2,2-Dichloroethane-1,1-diyl)bis(2,6-dinitrophenol) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-(2,2-Dichloroethane-1,1-diyl)bis(2,6-dinitrophenol)?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-(2,2-Dichloroethane-1,1-diyl)bis(2,6-dinitrophenol) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.