1,5-Bis(5-nitro-2-furanyl)-1,4-pentadien-3-one
TL;DR: 1,5-Bis(5-nitro-2-furanyl)-1,4-pentadien-3-one (CAS 2152-70-7) is a chemical compound with molecular formula C13H8N2O7 and molecular weight 304.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,5-bis(5-nitrofuran-2-yl)penta-1,4-dien-3-one
Also Known As: Nitrovin-ketone, 1,5-Bis(5-nitro-2-furyl)penta-1,4-dien-3-one, 1,5-bis(5-nitrofuran-2-yl)penta-1,4-dien-3-one, 1,5-Bis(5-nitro-2-furanyl)-1,4-pentadien-3-one, 1,5-Bis(5-nitro-2-furyl)-1,4-pentadien-3-one
| Molecular Formula | C13H8N2O7 |
|---|---|
| Molecular Weight | 304.03 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 304.03314 |
| Heavy Atoms | 22 |
| Complexity | 461.0 |
Chemical Identifiers
| CAS Number | 2152-70-7 |
|---|---|
| SMILES | C1=C(OC(=C1)[N+](=O)[O-])C=CC(=O)C=CC2=CC=C(O2)[N+](=O)[O-] |
| InChIKey | LUWVSMYASMXSJY-UHFFFAOYSA-N |
Product Overview
1,5-Bis(5-nitro-2-furanyl)-1,4-pentadien-3-one (CAS 2152-70-7), with molecular formula C13H8N2O7 and molecular weight 304.03 g/mol. IUPAC: 1,5-bis(5-nitrofuran-2-yl)penta-1,4-dien-3-one.
Chemical Property Profile of 1,5-Bis(5-nitro-2-furanyl)-1,4-pentadien-3-one
Property Insights of 1,5-Bis(5-nitro-2-furanyl)-1,4-pentadien-3-one
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,5-Bis(5-nitro-2-furanyl)-1,4-pentadien-3-one. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,5-Bis(5-nitro-2-furanyl)-1,4-pentadien-3-one. Following Lipinski's Rule of Five, 1,5-Bis(5-nitro-2-furanyl)-1,4-pentadien-3-one has 0 hydrogen bond donor(s) and 7 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 1,5-Bis(5-nitro-2-furanyl)-1,4-pentadien-3-one?
The CAS number of 1,5-Bis(5-nitro-2-furanyl)-1,4-pentadien-3-one is 2152-70-7.
What is the molecular formula of 1,5-Bis(5-nitro-2-furanyl)-1,4-pentadien-3-one?
The molecular formula of 1,5-Bis(5-nitro-2-furanyl)-1,4-pentadien-3-one is C13H8N2O7.
What is the molecular weight of 1,5-Bis(5-nitro-2-furanyl)-1,4-pentadien-3-one?
The molecular weight of 1,5-Bis(5-nitro-2-furanyl)-1,4-pentadien-3-one is 304.03 g/mol.
Where can I buy 1,5-Bis(5-nitro-2-furanyl)-1,4-pentadien-3-one?
You can request a quote for 1,5-Bis(5-nitro-2-furanyl)-1,4-pentadien-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,5-Bis(5-nitro-2-furanyl)-1,4-pentadien-3-one?
Yes, KEHONG BIO provides custom synthesis services for 1,5-Bis(5-nitro-2-furanyl)-1,4-pentadien-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.