![4-{[(3,5-Dinitrobenzoyl)oxy]imino}-2,5-dimethylcyclohexa-2,5-dien-1-one structure](/static/products/6938/6938-32-5.webp)
4-{[(3,5-Dinitrobenzoyl)oxy]imino}-2,5-dimethylcyclohexa-2,5-dien-1-one
TL;DR: 4-{[(3,5-Dinitrobenzoyl)oxy]imino}-2,5-dimethylcyclohexa-2,5-dien-1-one (CAS 6938-32-5) is a chemical compound with molecular formula C15H11N3O7 and molecular weight 345.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] 3,5-dinitrobenzoate
Also Known As: 4-{[(3,5-Dinitrobenzoyl)oxy]imino}-2,5-dimethylcyclohexa-2,5-dien-1-one, [(2,5-dimethyl-4-oxo-1-cyclohexa-2,5-dienylidene)amino] 3,5-dinitrobenzoate, [(2,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] 3,5-dinitrobenzoate
| Molecular Formula | C15H11N3O7 |
|---|---|
| Molecular Weight | 345.06 g/mol |
| LogP | 2.4911 |
| Topological Polar Surface Area | 142.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 345.0597 |
| Heavy Atoms | 25 |
| Complexity | 864.1361 |
Chemical Identifiers
| CAS Number | 6938-32-5 |
|---|---|
| SMILES | CC1=CC(=NOC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C(=CC1=O)C |
Product Overview
4-{[(3,5-Dinitrobenzoyl)oxy]imino}-2,5-dimethylcyclohexa-2,5-dien-1-one (CAS 6938-32-5), with molecular formula C15H11N3O7 and molecular weight 345.06 g/mol. IUPAC: [(2,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] 3,5-dinitrobenzoate.
Chemical Property Profile of 4-{[(3,5-Dinitrobenzoyl)oxy]imino}-2,5-dimethylcyclohexa-2,5-dien-1-one
Property Insights of 4-{[(3,5-Dinitrobenzoyl)oxy]imino}-2,5-dimethylcyclohexa-2,5-dien-1-one
The XLogP value of 2.4911 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{[(3,5-Dinitrobenzoyl)oxy]imino}-2,5-dimethylcyclohexa-2,5-dien-1-one. The TPSA of 142.01 Ų indicates high polarity, suggesting 4-{[(3,5-Dinitrobenzoyl)oxy]imino}-2,5-dimethylcyclohexa-2,5-dien-1-one may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-{[(3,5-Dinitrobenzoyl)oxy]imino}-2,5-dimethylcyclohexa-2,5-dien-1-one has 0 hydrogen bond donor(s) and 8 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-{[(3,5-Dinitrobenzoyl)oxy]imino}-2,5-dimethylcyclohexa-2,5-dien-1-one?
The CAS number of 4-{[(3,5-Dinitrobenzoyl)oxy]imino}-2,5-dimethylcyclohexa-2,5-dien-1-one is 6938-32-5.
What is the molecular formula of 4-{[(3,5-Dinitrobenzoyl)oxy]imino}-2,5-dimethylcyclohexa-2,5-dien-1-one?
The molecular formula of 4-{[(3,5-Dinitrobenzoyl)oxy]imino}-2,5-dimethylcyclohexa-2,5-dien-1-one is C15H11N3O7.
What is the molecular weight of 4-{[(3,5-Dinitrobenzoyl)oxy]imino}-2,5-dimethylcyclohexa-2,5-dien-1-one?
The molecular weight of 4-{[(3,5-Dinitrobenzoyl)oxy]imino}-2,5-dimethylcyclohexa-2,5-dien-1-one is 345.06 g/mol.
Where can I buy 4-{[(3,5-Dinitrobenzoyl)oxy]imino}-2,5-dimethylcyclohexa-2,5-dien-1-one?
You can request a quote for 4-{[(3,5-Dinitrobenzoyl)oxy]imino}-2,5-dimethylcyclohexa-2,5-dien-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-{[(3,5-Dinitrobenzoyl)oxy]imino}-2,5-dimethylcyclohexa-2,5-dien-1-one?
Yes, KEHONG BIO provides custom synthesis services for 4-{[(3,5-Dinitrobenzoyl)oxy]imino}-2,5-dimethylcyclohexa-2,5-dien-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.