Benzene, 1,1'-(1,2-ethynediyl)bis(2-nitro-
TL;DR: Benzene, 1,1'-(1,2-ethynediyl)bis(2-nitro- (CAS 35438-57-4) is a chemical compound with molecular formula C14H8N2O4 and molecular weight 268.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitro-2-[2-(2-nitrophenyl)ethynyl]benzene
Also Known As: Dinitro-2,2' tolane, 2,2'-Dinitrotolan, Acetylene, bis(o-nitrophenyl)-, Dinitro-2,2' tolane [French], Bis(2-nitrophenyl)ethyne
| Molecular Formula | C14H8N2O4 |
|---|---|
| Molecular Weight | 268.05 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.0484 |
| Heavy Atoms | 20 |
| Complexity | 402.0 |
Chemical Identifiers
| CAS Number | 35438-57-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C#CC2=CC=CC=C2[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | NGAAWVNDUVZWCT-UHFFFAOYSA-N |
Product Overview
Benzene, 1,1'-(1,2-ethynediyl)bis(2-nitro- (CAS 35438-57-4), with molecular formula C14H8N2O4 and molecular weight 268.05 g/mol. IUPAC: 1-nitro-2-[2-(2-nitrophenyl)ethynyl]benzene.
Chemical Property Profile of Benzene, 1,1'-(1,2-ethynediyl)bis(2-nitro-
Property Insights of Benzene, 1,1'-(1,2-ethynediyl)bis(2-nitro-
The XLogP value of 3.6 indicates that Benzene, 1,1'-(1,2-ethynediyl)bis(2-nitro- 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 Benzene, 1,1'-(1,2-ethynediyl)bis(2-nitro-. Following Lipinski's Rule of Five, Benzene, 1,1'-(1,2-ethynediyl)bis(2-nitro- 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 Benzene, 1,1'-(1,2-ethynediyl)bis(2-nitro-?
The CAS number of Benzene, 1,1'-(1,2-ethynediyl)bis(2-nitro- is 35438-57-4.
What is the molecular formula of Benzene, 1,1'-(1,2-ethynediyl)bis(2-nitro-?
The molecular formula of Benzene, 1,1'-(1,2-ethynediyl)bis(2-nitro- is C14H8N2O4.
What is the molecular weight of Benzene, 1,1'-(1,2-ethynediyl)bis(2-nitro-?
The molecular weight of Benzene, 1,1'-(1,2-ethynediyl)bis(2-nitro- is 268.05 g/mol.
Where can I buy Benzene, 1,1'-(1,2-ethynediyl)bis(2-nitro-?
You can request a quote for Benzene, 1,1'-(1,2-ethynediyl)bis(2-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1,1'-(1,2-ethynediyl)bis(2-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1,1'-(1,2-ethynediyl)bis(2-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.