4-Nitro-3-(3-nitrophenyl)cyclohexanone
TL;DR: 4-Nitro-3-(3-nitrophenyl)cyclohexanone (CAS 696649-85-1) is a chemical compound with molecular formula C12H12N2O5 and molecular weight 264.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitro-3-(3-nitrophenyl)cyclohexan-1-one
Also Known As: 4-nitro-3-(3-nitrophenyl)cyclohexanone, 4-nitro-3-(3-nitrophenyl)cyclohexan-1-one, A3483/0147764
| Molecular Formula | C12H12N2O5 |
|---|---|
| Molecular Weight | 264.07 g/mol |
| LogP | 2.0767 |
| Topological Polar Surface Area | 103.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 264.07462 |
| Heavy Atoms | 19 |
| Complexity | 542.6762 |
Chemical Identifiers
| CAS Number | 696649-85-1 |
|---|---|
| SMILES | C1CC(=O)CC(C1[N+](=O)[O-])C2=CC(=CC=C2)[N+](=O)[O-] |
Product Overview
4-Nitro-3-(3-nitrophenyl)cyclohexanone (CAS 696649-85-1), with molecular formula C12H12N2O5 and molecular weight 264.07 g/mol. IUPAC: 4-nitro-3-(3-nitrophenyl)cyclohexan-1-one.
Chemical Property Profile of 4-Nitro-3-(3-nitrophenyl)cyclohexanone
Property Insights of 4-Nitro-3-(3-nitrophenyl)cyclohexanone
The XLogP value of 2.0767 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitro-3-(3-nitrophenyl)cyclohexanone. The TPSA of 103.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitro-3-(3-nitrophenyl)cyclohexanone. Following Lipinski's Rule of Five, 4-Nitro-3-(3-nitrophenyl)cyclohexanone 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)cyclohexanone?
The CAS number of 4-Nitro-3-(3-nitrophenyl)cyclohexanone is 696649-85-1.
What is the molecular formula of 4-Nitro-3-(3-nitrophenyl)cyclohexanone?
The molecular formula of 4-Nitro-3-(3-nitrophenyl)cyclohexanone is C12H12N2O5.
What is the molecular weight of 4-Nitro-3-(3-nitrophenyl)cyclohexanone?
The molecular weight of 4-Nitro-3-(3-nitrophenyl)cyclohexanone is 264.07 g/mol.
Where can I buy 4-Nitro-3-(3-nitrophenyl)cyclohexanone?
You can request a quote for 4-Nitro-3-(3-nitrophenyl)cyclohexanone 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)cyclohexanone?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitro-3-(3-nitrophenyl)cyclohexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.