2-(3-Nitrophenyl)cyclohexa-2,5-diene-1,4-dione
TL;DR: 2-(3-Nitrophenyl)cyclohexa-2,5-diene-1,4-dione (CAS 3844-86-8) is a chemical compound with molecular formula C12H7NO4 and molecular weight 229.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-nitrophenyl)cyclohexa-2,5-diene-1,4-dione
Also Known As: 3 -Nitrobiphenyl-2,5-dione, 2-(3-nitrophenyl)cyclohexa-2,5-diene-1,4-dione, J3.188.760G, 2,5-Cyclohexadiene-1,4-dione, 2-(3-nitrophenyl)-
| Molecular Formula | C12H7NO4 |
|---|---|
| Molecular Weight | 229.04 g/mol |
| LogP | 1.6862 |
| Topological Polar Surface Area | 77.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 229.0375 |
| Heavy Atoms | 17 |
| Complexity | 583.92334 |
Chemical Identifiers
| CAS Number | 3844-86-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC(=O)C=CC2=O |
Product Overview
2-(3-Nitrophenyl)cyclohexa-2,5-diene-1,4-dione (CAS 3844-86-8), with molecular formula C12H7NO4 and molecular weight 229.04 g/mol. IUPAC: 2-(3-nitrophenyl)cyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of 2-(3-Nitrophenyl)cyclohexa-2,5-diene-1,4-dione
Property Insights of 2-(3-Nitrophenyl)cyclohexa-2,5-diene-1,4-dione
The XLogP value of 1.6862 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Nitrophenyl)cyclohexa-2,5-diene-1,4-dione. The TPSA of 77.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Nitrophenyl)cyclohexa-2,5-diene-1,4-dione. Following Lipinski's Rule of Five, 2-(3-Nitrophenyl)cyclohexa-2,5-diene-1,4-dione 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 2-(3-Nitrophenyl)cyclohexa-2,5-diene-1,4-dione?
The CAS number of 2-(3-Nitrophenyl)cyclohexa-2,5-diene-1,4-dione is 3844-86-8.
What is the molecular formula of 2-(3-Nitrophenyl)cyclohexa-2,5-diene-1,4-dione?
The molecular formula of 2-(3-Nitrophenyl)cyclohexa-2,5-diene-1,4-dione is C12H7NO4.
What is the molecular weight of 2-(3-Nitrophenyl)cyclohexa-2,5-diene-1,4-dione?
The molecular weight of 2-(3-Nitrophenyl)cyclohexa-2,5-diene-1,4-dione is 229.04 g/mol.
Where can I buy 2-(3-Nitrophenyl)cyclohexa-2,5-diene-1,4-dione?
You can request a quote for 2-(3-Nitrophenyl)cyclohexa-2,5-diene-1,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Nitrophenyl)cyclohexa-2,5-diene-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Nitrophenyl)cyclohexa-2,5-diene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.