1,4-Dinitrobutane
TL;DR: 1,4-Dinitrobutane (CAS 4286-49-1) is a chemical compound with molecular formula C4H8N2O4 and molecular weight 148.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-dinitrobutane
Also Known As: 1,4-Dinitrobutane, Butane, 1,4-dinitro-, 1,4-dinitro-butane, Butane,1,4-dinitro, J1.603.417G
| Molecular Formula | C4H8N2O4 |
|---|---|
| Molecular Weight | 148.05 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 148.0484 |
| Heavy Atoms | 10 |
| Complexity | 108.0 |
Chemical Identifiers
| CAS Number | 4286-49-1 |
|---|---|
| SMILES | C(CC[N+](=O)[O-])C[N+](=O)[O-] |
| InChIKey | KWFGJLCFMKVZLQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Dinitrobutane (CAS 4286-49-1), with molecular formula C4H8N2O4 and molecular weight 148.05 g/mol. IUPAC: 1,4-dinitrobutane.
Chemical Property Profile of 1,4-Dinitrobutane
Property Insights of 1,4-Dinitrobutane
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Dinitrobutane. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Dinitrobutane. Following Lipinski's Rule of Five, 1,4-Dinitrobutane 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-Dinitrobutane?
The CAS number of 1,4-Dinitrobutane is 4286-49-1.
What is the molecular formula of 1,4-Dinitrobutane?
The molecular formula of 1,4-Dinitrobutane is C4H8N2O4.
What is the molecular weight of 1,4-Dinitrobutane?
The molecular weight of 1,4-Dinitrobutane is 148.05 g/mol.
Where can I buy 1,4-Dinitrobutane?
You can request a quote for 1,4-Dinitrobutane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Dinitrobutane?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Dinitrobutane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.