1,4-Dinitrobut-2-ene
TL;DR: 1,4-Dinitrobut-2-ene (CAS 58473-18-0) is a chemical compound with molecular formula C4H6N2O4 and molecular weight 146.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-dinitrobut-2-ene
Also Known As: 1,4-Dinitro-2-butene, 2-Butene, 1,4-dinitro-
| Molecular Formula | C4H6N2O4 |
|---|---|
| Molecular Weight | 146.03 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 146.03276 |
| Heavy Atoms | 10 |
| Complexity | 136.0 |
Chemical Identifiers
| CAS Number | 58473-18-0 |
|---|---|
| SMILES | C(C=CC[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | RTEXYXIMTWPLML-UHFFFAOYSA-N |
Product Overview
1,4-Dinitrobut-2-ene (CAS 58473-18-0), with molecular formula C4H6N2O4 and molecular weight 146.03 g/mol. IUPAC: 1,4-dinitrobut-2-ene.
Chemical Property Profile of 1,4-Dinitrobut-2-ene
Property Insights of 1,4-Dinitrobut-2-ene
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Dinitrobut-2-ene. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Dinitrobut-2-ene. Following Lipinski's Rule of Five, 1,4-Dinitrobut-2-ene 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-Dinitrobut-2-ene?
The CAS number of 1,4-Dinitrobut-2-ene is 58473-18-0.
What is the molecular formula of 1,4-Dinitrobut-2-ene?
The molecular formula of 1,4-Dinitrobut-2-ene is C4H6N2O4.
What is the molecular weight of 1,4-Dinitrobut-2-ene?
The molecular weight of 1,4-Dinitrobut-2-ene is 146.03 g/mol.
Where can I buy 1,4-Dinitrobut-2-ene?
You can request a quote for 1,4-Dinitrobut-2-ene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Dinitrobut-2-ene?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Dinitrobut-2-ene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.