1,4-Dinitro-1,1,4,4-tetrachlorobutane
TL;DR: 1,4-Dinitro-1,1,4,4-tetrachlorobutane (CAS 5029-16-3) is a chemical compound with molecular formula C4H4Cl4N2O4 and molecular weight 283.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,4,4-tetrachloro-1,4-dinitrobutane
Also Known As: 1,1,4,4-tetrachloro-1,4-dinitrobutane, 1,4-dinitro-1,1,4,4-tetrachlorobutane, 1,1,4,4-tetrachloro-1,4-dinitro-butane
| Molecular Formula | C4H4Cl4N2O4 |
|---|---|
| Molecular Weight | 283.89 g/mol |
| LogP | 2.5828 |
| Topological Polar Surface Area | 86.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 283.89252 |
| Heavy Atoms | 14 |
| Complexity | 229.72583 |
Chemical Identifiers
| CAS Number | 5029-16-3 |
|---|---|
| SMILES | C(CC([N+](=O)[O-])(Cl)Cl)C([N+](=O)[O-])(Cl)Cl |
Product Overview
1,4-Dinitro-1,1,4,4-tetrachlorobutane (CAS 5029-16-3), with molecular formula C4H4Cl4N2O4 and molecular weight 283.89 g/mol. IUPAC: 1,1,4,4-tetrachloro-1,4-dinitrobutane.
Chemical Property Profile of 1,4-Dinitro-1,1,4,4-tetrachlorobutane
Property Insights of 1,4-Dinitro-1,1,4,4-tetrachlorobutane
The XLogP value of 2.5828 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Dinitro-1,1,4,4-tetrachlorobutane. The TPSA of 86.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Dinitro-1,1,4,4-tetrachlorobutane. Following Lipinski's Rule of Five, 1,4-Dinitro-1,1,4,4-tetrachlorobutane has 0 hydrogen bond donor(s) and 4 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 1,4-Dinitro-1,1,4,4-tetrachlorobutane?
The CAS number of 1,4-Dinitro-1,1,4,4-tetrachlorobutane is 5029-16-3.
What is the molecular formula of 1,4-Dinitro-1,1,4,4-tetrachlorobutane?
The molecular formula of 1,4-Dinitro-1,1,4,4-tetrachlorobutane is C4H4Cl4N2O4.
What is the molecular weight of 1,4-Dinitro-1,1,4,4-tetrachlorobutane?
The molecular weight of 1,4-Dinitro-1,1,4,4-tetrachlorobutane is 283.89 g/mol.
Where can I buy 1,4-Dinitro-1,1,4,4-tetrachlorobutane?
You can request a quote for 1,4-Dinitro-1,1,4,4-tetrachlorobutane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Dinitro-1,1,4,4-tetrachlorobutane?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Dinitro-1,1,4,4-tetrachlorobutane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.