4-Nitro-3-(3-nitrophenyl)-1-phenylpentan-1-one
TL;DR: 4-Nitro-3-(3-nitrophenyl)-1-phenylpentan-1-one (CAS 6831-41-0) is a chemical compound with molecular formula C17H16N2O5 and molecular weight 328.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitro-3-(3-nitrophenyl)-1-phenylpentan-1-one
Also Known As: 4-nitro-3-(3-nitrophenyl)-1-phenylpentan-1-one
| Molecular Formula | C17H16N2O5 |
|---|---|
| Molecular Weight | 328.11 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 328.10593 |
| Heavy Atoms | 24 |
| Complexity | 465.0 |
Chemical Identifiers
| CAS Number | 6831-41-0 |
|---|---|
| SMILES | CC(C(CC(=O)C1=CC=CC=C1)C2=CC(=CC=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | JSLKOOHYAWTKNJ-UHFFFAOYSA-N |
Product Overview
4-Nitro-3-(3-nitrophenyl)-1-phenylpentan-1-one (CAS 6831-41-0), with molecular formula C17H16N2O5 and molecular weight 328.11 g/mol. IUPAC: 4-nitro-3-(3-nitrophenyl)-1-phenylpentan-1-one.
Chemical Property Profile of 4-Nitro-3-(3-nitrophenyl)-1-phenylpentan-1-one
Property Insights of 4-Nitro-3-(3-nitrophenyl)-1-phenylpentan-1-one
The XLogP value of 3.3 indicates that 4-Nitro-3-(3-nitrophenyl)-1-phenylpentan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitro-3-(3-nitrophenyl)-1-phenylpentan-1-one. Following Lipinski's Rule of Five, 4-Nitro-3-(3-nitrophenyl)-1-phenylpentan-1-one has 0 hydrogen bond donor(s) and 5 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 4-Nitro-3-(3-nitrophenyl)-1-phenylpentan-1-one?
The CAS number of 4-Nitro-3-(3-nitrophenyl)-1-phenylpentan-1-one is 6831-41-0.
What is the molecular formula of 4-Nitro-3-(3-nitrophenyl)-1-phenylpentan-1-one?
The molecular formula of 4-Nitro-3-(3-nitrophenyl)-1-phenylpentan-1-one is C17H16N2O5.
What is the molecular weight of 4-Nitro-3-(3-nitrophenyl)-1-phenylpentan-1-one?
The molecular weight of 4-Nitro-3-(3-nitrophenyl)-1-phenylpentan-1-one is 328.11 g/mol.
Where can I buy 4-Nitro-3-(3-nitrophenyl)-1-phenylpentan-1-one?
You can request a quote for 4-Nitro-3-(3-nitrophenyl)-1-phenylpentan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitro-3-(3-nitrophenyl)-1-phenylpentan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitro-3-(3-nitrophenyl)-1-phenylpentan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.