1,4-Bis(2-nitroprop-1-enyl)benzene
TL;DR: 1,4-Bis(2-nitroprop-1-enyl)benzene (CAS 3316-23-2) is a chemical compound with molecular formula C12H12N2O4 and molecular weight 248.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-bis(2-nitroprop-1-enyl)benzene
Also Known As: 1,4-bis(2-nitroprop-1-enyl)benzene, 1,4-bis(2-nitroprop-1-en-1-yl)benzene, 1-[(Z)-2-nitroprop-1-enyl]-4-[(E)-2-nitroprop-1-enyl]benzene
| Molecular Formula | C12H12N2O4 |
|---|---|
| Molecular Weight | 248.08 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 248.07971 |
| Heavy Atoms | 18 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 3316-23-2 |
|---|---|
| SMILES | CC(=CC1=CC=C(C=C1)C=C(C)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | YDRFYIMGSXCFJK-UHFFFAOYSA-N |
Product Overview
1,4-Bis(2-nitroprop-1-enyl)benzene (CAS 3316-23-2), with molecular formula C12H12N2O4 and molecular weight 248.08 g/mol. IUPAC: 1,4-bis(2-nitroprop-1-enyl)benzene.
Chemical Property Profile of 1,4-Bis(2-nitroprop-1-enyl)benzene
Property Insights of 1,4-Bis(2-nitroprop-1-enyl)benzene
The XLogP value of 3.2 indicates that 1,4-Bis(2-nitroprop-1-enyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Bis(2-nitroprop-1-enyl)benzene. Following Lipinski's Rule of Five, 1,4-Bis(2-nitroprop-1-enyl)benzene 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-Bis(2-nitroprop-1-enyl)benzene?
The CAS number of 1,4-Bis(2-nitroprop-1-enyl)benzene is 3316-23-2.
What is the molecular formula of 1,4-Bis(2-nitroprop-1-enyl)benzene?
The molecular formula of 1,4-Bis(2-nitroprop-1-enyl)benzene is C12H12N2O4.
What is the molecular weight of 1,4-Bis(2-nitroprop-1-enyl)benzene?
The molecular weight of 1,4-Bis(2-nitroprop-1-enyl)benzene is 248.08 g/mol.
Where can I buy 1,4-Bis(2-nitroprop-1-enyl)benzene?
You can request a quote for 1,4-Bis(2-nitroprop-1-enyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Bis(2-nitroprop-1-enyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Bis(2-nitroprop-1-enyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.