1,1,1,4-Tetranitrobutane
TL;DR: 1,1,1,4-Tetranitrobutane (CAS 20919-96-4) is a chemical compound with molecular formula C4H6N4O8 and molecular weight 238.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1,4-tetranitrobutane
Also Known As: 1,1,1,4-Tetranitrobutane, 1,1,1,4-tetranitro-butane, Butane,1,1,1,4-tetranitro-, RefChem:212914
| Molecular Formula | C4H6N4O8 |
|---|---|
| Molecular Weight | 238.02 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 183.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 238.01857 |
| Heavy Atoms | 16 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 20919-96-4 |
|---|---|
| SMILES | C(CC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])C[N+](=O)[O-] |
| InChIKey | GKHIAGMOLQBUBL-UHFFFAOYSA-N |
Product Overview
1,1,1,4-Tetranitrobutane (CAS 20919-96-4), with molecular formula C4H6N4O8 and molecular weight 238.02 g/mol. IUPAC: 1,1,1,4-tetranitrobutane.
Chemical Property Profile of 1,1,1,4-Tetranitrobutane
Property Insights of 1,1,1,4-Tetranitrobutane
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1,1,4-Tetranitrobutane. The TPSA of 183.0 Ų indicates high polarity, suggesting 1,1,1,4-Tetranitrobutane may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,1,1,4-Tetranitrobutane has 0 hydrogen bond donor(s) and 8 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 1,1,1,4-Tetranitrobutane?
The CAS number of 1,1,1,4-Tetranitrobutane is 20919-96-4.
What is the molecular formula of 1,1,1,4-Tetranitrobutane?
The molecular formula of 1,1,1,4-Tetranitrobutane is C4H6N4O8.
What is the molecular weight of 1,1,1,4-Tetranitrobutane?
The molecular weight of 1,1,1,4-Tetranitrobutane is 238.02 g/mol.
Where can I buy 1,1,1,4-Tetranitrobutane?
You can request a quote for 1,1,1,4-Tetranitrobutane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,1,4-Tetranitrobutane?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1,4-Tetranitrobutane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.