1,3-Bis(4-nitrophenyl)-1,3-propanedione
TL;DR: 1,3-Bis(4-nitrophenyl)-1,3-propanedione (CAS 13586-91-9) is a chemical compound with molecular formula C15H10N2O6 and molecular weight 314.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis(4-nitrophenyl)propane-1,3-dione
Also Known As: 1,3-bis(4-nitrophenyl)propane-1,3-dione, 1,3-bis(4-nitrophenyl)-1,3-propanedione, 1,3-Propanedione, 1,3-bis(4-nitrophenyl)-
| Molecular Formula | C15H10N2O6 |
|---|---|
| Molecular Weight | 314.05 g/mol |
| LogP | 2.9587 |
| Topological Polar Surface Area | 120.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 314.0539 |
| Heavy Atoms | 23 |
| Complexity | 713.1193 |
Chemical Identifiers
| CAS Number | 13586-91-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)CC(=O)C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
1,3-Bis(4-nitrophenyl)-1,3-propanedione (CAS 13586-91-9), with molecular formula C15H10N2O6 and molecular weight 314.05 g/mol. IUPAC: 1,3-bis(4-nitrophenyl)propane-1,3-dione.
Chemical Property Profile of 1,3-Bis(4-nitrophenyl)-1,3-propanedione
Property Insights of 1,3-Bis(4-nitrophenyl)-1,3-propanedione
The XLogP value of 2.9587 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Bis(4-nitrophenyl)-1,3-propanedione. The TPSA of 120.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Bis(4-nitrophenyl)-1,3-propanedione. Following Lipinski's Rule of Five, 1,3-Bis(4-nitrophenyl)-1,3-propanedione has 0 hydrogen bond donor(s) and 6 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 1,3-Bis(4-nitrophenyl)-1,3-propanedione?
The CAS number of 1,3-Bis(4-nitrophenyl)-1,3-propanedione is 13586-91-9.
What is the molecular formula of 1,3-Bis(4-nitrophenyl)-1,3-propanedione?
The molecular formula of 1,3-Bis(4-nitrophenyl)-1,3-propanedione is C15H10N2O6.
What is the molecular weight of 1,3-Bis(4-nitrophenyl)-1,3-propanedione?
The molecular weight of 1,3-Bis(4-nitrophenyl)-1,3-propanedione is 314.05 g/mol.
Where can I buy 1,3-Bis(4-nitrophenyl)-1,3-propanedione?
You can request a quote for 1,3-Bis(4-nitrophenyl)-1,3-propanedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Bis(4-nitrophenyl)-1,3-propanedione?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Bis(4-nitrophenyl)-1,3-propanedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.