(1Z,3E)-1,4-dinitrobuta-1,3-diene
TL;DR: (1Z,3E)-1,4-dinitrobuta-1,3-diene (CAS 29293-56-9) is a chemical compound with molecular formula C4H4N2O4 and molecular weight 144.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1Z,3E)-1,4-dinitrobuta-1,3-diene
Also Known As: (1Z,3E)-1,4-dinitrobuta-1,3-diene
| Molecular Formula | C4H4N2O4 |
|---|---|
| Molecular Weight | 144.02 g/mol |
| LogP | 0.5672 |
| Topological Polar Surface Area | 86.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 144.0171 |
| Heavy Atoms | 10 |
| Complexity | 173.43427 |
Chemical Identifiers
| CAS Number | 29293-56-9 |
|---|---|
| SMILES | C(=C/[N+](=O)[O-])\C=C/[N+](=O)[O-] |
Product Overview
(1Z,3E)-1,4-dinitrobuta-1,3-diene (CAS 29293-56-9), with molecular formula C4H4N2O4 and molecular weight 144.02 g/mol. IUPAC: (1Z,3E)-1,4-dinitrobuta-1,3-diene.
Chemical Property Profile of (1Z,3E)-1,4-dinitrobuta-1,3-diene
Property Insights of (1Z,3E)-1,4-dinitrobuta-1,3-diene
The XLogP value of 0.5672 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1Z,3E)-1,4-dinitrobuta-1,3-diene. The TPSA of 86.28 Ų falls within the moderate polarity range, balancing permeability and solubility for (1Z,3E)-1,4-dinitrobuta-1,3-diene. Following Lipinski's Rule of Five, (1Z,3E)-1,4-dinitrobuta-1,3-diene 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 (1Z,3E)-1,4-dinitrobuta-1,3-diene?
The CAS number of (1Z,3E)-1,4-dinitrobuta-1,3-diene is 29293-56-9.
What is the molecular formula of (1Z,3E)-1,4-dinitrobuta-1,3-diene?
The molecular formula of (1Z,3E)-1,4-dinitrobuta-1,3-diene is C4H4N2O4.
What is the molecular weight of (1Z,3E)-1,4-dinitrobuta-1,3-diene?
The molecular weight of (1Z,3E)-1,4-dinitrobuta-1,3-diene is 144.02 g/mol.
Where can I buy (1Z,3E)-1,4-dinitrobuta-1,3-diene?
You can request a quote for (1Z,3E)-1,4-dinitrobuta-1,3-diene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1Z,3E)-1,4-dinitrobuta-1,3-diene?
Yes, KEHONG BIO provides custom synthesis services for (1Z,3E)-1,4-dinitrobuta-1,3-diene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.