1,1'-Propane-1,3-diylbis(4-nitrobenzene)
TL;DR: 1,1'-Propane-1,3-diylbis(4-nitrobenzene) (CAS 1121-49-9) is a chemical compound with molecular formula C15H14N2O4 and molecular weight 286.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitro-4-[3-(4-nitrophenyl)propyl]benzene
Also Known As: 1,1'-propane-1,3-diylbis(4-nitrobenzene), KST-1A9847, 1-nitro-4-[3-(4-nitrophenyl)propyl]benzene, 1,1'-(Propane-1,3-diyl)bis(4-nitrobenzene), Benzene,1,1'-(1,3-propanediyl)bis[4-nitro-
| Molecular Formula | C15H14N2O4 |
|---|---|
| Molecular Weight | 286.10 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 286.09537 |
| Heavy Atoms | 21 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 1121-49-9 |
|---|---|
| SMILES | C1=CC(=CC=C1CCCC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | VAPDJRHKCKAAKT-UHFFFAOYSA-N |
Product Overview
1,1'-Propane-1,3-diylbis(4-nitrobenzene) (CAS 1121-49-9), with molecular formula C15H14N2O4 and molecular weight 286.10 g/mol. IUPAC: 1-nitro-4-[3-(4-nitrophenyl)propyl]benzene.
Chemical Property Profile of 1,1'-Propane-1,3-diylbis(4-nitrobenzene)
Property Insights of 1,1'-Propane-1,3-diylbis(4-nitrobenzene)
The XLogP value of 4.3 indicates that 1,1'-Propane-1,3-diylbis(4-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'-Propane-1,3-diylbis(4-nitrobenzene). Following Lipinski's Rule of Five, 1,1'-Propane-1,3-diylbis(4-nitrobenzene) 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 1,1'-Propane-1,3-diylbis(4-nitrobenzene)?
The CAS number of 1,1'-Propane-1,3-diylbis(4-nitrobenzene) is 1121-49-9.
What is the molecular formula of 1,1'-Propane-1,3-diylbis(4-nitrobenzene)?
The molecular formula of 1,1'-Propane-1,3-diylbis(4-nitrobenzene) is C15H14N2O4.
What is the molecular weight of 1,1'-Propane-1,3-diylbis(4-nitrobenzene)?
The molecular weight of 1,1'-Propane-1,3-diylbis(4-nitrobenzene) is 286.10 g/mol.
Where can I buy 1,1'-Propane-1,3-diylbis(4-nitrobenzene)?
You can request a quote for 1,1'-Propane-1,3-diylbis(4-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'-Propane-1,3-diylbis(4-nitrobenzene)?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-Propane-1,3-diylbis(4-nitrobenzene) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.