1,1'-(Benzene-1,4-diyldimethanediyl)bis(3-nitrobenzene)
TL;DR: 1,1'-(Benzene-1,4-diyldimethanediyl)bis(3-nitrobenzene) (CAS 6635-82-1) is a chemical compound with molecular formula C20H16N2O4 and molecular weight 348.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitro-3-[[4-[(3-nitrophenyl)methyl]phenyl]methyl]benzene
Also Known As: KST-1B7139, 1,1'-(benzene-1,4-diyldimethanediyl)bis(3-nitrobenzene), 1-nitro-3-[[4-[(3-nitrophenyl)methyl]phenyl]methyl]benzene, 1,1'-[1,4-Phenylenebis(methylene)]bis(3-nitrobenzene)
| Molecular Formula | C20H16N2O4 |
|---|---|
| Molecular Weight | 348.11 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 348.111 |
| Heavy Atoms | 26 |
| Complexity | 435.0 |
Chemical Identifiers
| CAS Number | 6635-82-1 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])CC2=CC=C(C=C2)CC3=CC(=CC=C3)[N+](=O)[O-] |
| InChIKey | LBDZBXXXDRBZDT-UHFFFAOYSA-N |
Product Overview
1,1'-(Benzene-1,4-diyldimethanediyl)bis(3-nitrobenzene) (CAS 6635-82-1), with molecular formula C20H16N2O4 and molecular weight 348.11 g/mol. IUPAC: 1-nitro-3-[[4-[(3-nitrophenyl)methyl]phenyl]methyl]benzene.
Chemical Property Profile of 1,1'-(Benzene-1,4-diyldimethanediyl)bis(3-nitrobenzene)
Property Insights of 1,1'-(Benzene-1,4-diyldimethanediyl)bis(3-nitrobenzene)
The XLogP value of 5.4 indicates that 1,1'-(Benzene-1,4-diyldimethanediyl)bis(3-nitrobenzene) 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 1,1'-(Benzene-1,4-diyldimethanediyl)bis(3-nitrobenzene). Following Lipinski's Rule of Five, 1,1'-(Benzene-1,4-diyldimethanediyl)bis(3-nitrobenzene) has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,1'-(Benzene-1,4-diyldimethanediyl)bis(3-nitrobenzene)?
The CAS number of 1,1'-(Benzene-1,4-diyldimethanediyl)bis(3-nitrobenzene) is 6635-82-1.
What is the molecular formula of 1,1'-(Benzene-1,4-diyldimethanediyl)bis(3-nitrobenzene)?
The molecular formula of 1,1'-(Benzene-1,4-diyldimethanediyl)bis(3-nitrobenzene) is C20H16N2O4.
What is the molecular weight of 1,1'-(Benzene-1,4-diyldimethanediyl)bis(3-nitrobenzene)?
The molecular weight of 1,1'-(Benzene-1,4-diyldimethanediyl)bis(3-nitrobenzene) is 348.11 g/mol.
Where can I buy 1,1'-(Benzene-1,4-diyldimethanediyl)bis(3-nitrobenzene)?
You can request a quote for 1,1'-(Benzene-1,4-diyldimethanediyl)bis(3-nitrobenzene) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1'-(Benzene-1,4-diyldimethanediyl)bis(3-nitrobenzene)?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-(Benzene-1,4-diyldimethanediyl)bis(3-nitrobenzene) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.