(Z)-4-(((3,5-dinitrobenzoyl)oxy)imino)-3-methylcyclohexa-2,5-dienone
TL;DR: (Z)-4-(((3,5-dinitrobenzoyl)oxy)imino)-3-methylcyclohexa-2,5-dienone (CAS 321681-98-5) is a chemical compound with molecular formula C14H9N3O7 and molecular weight 331.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(Z)-(2-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] 3,5-dinitrobenzoate
Also Known As: F1153-0394, [(1Z)-2-METHYL-4-OXOCYCLOHEXA-2,5-DIEN-1-YLIDENE]AMINO 3,5-DINITROBENZOATE, (Z)-4-(((3,5-dinitrobenzoyl)oxy)imino)-3-methylcyclohexa-2,5-dienone, [(Z)-(2-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] 3,5-dinitrobenzoate, (2-methyl-4-oxocyclohexa-2,5-dienylidene)azamethyl 3,5-dinitrobenzoate
| Molecular Formula | C14H9N3O7 |
|---|---|
| Molecular Weight | 331.04 g/mol |
| LogP | 2.101 |
| Topological Polar Surface Area | 142.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.04404 |
| Heavy Atoms | 24 |
| Complexity | 819.6741 |
Chemical Identifiers
| CAS Number | 321681-98-5 |
|---|---|
| SMILES | CC\1=CC(=O)C=C/C1=N/OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
(Z)-4-(((3,5-dinitrobenzoyl)oxy)imino)-3-methylcyclohexa-2,5-dienone (CAS 321681-98-5), with molecular formula C14H9N3O7 and molecular weight 331.04 g/mol. IUPAC: [(Z)-(2-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] 3,5-dinitrobenzoate.
Chemical Property Profile of (Z)-4-(((3,5-dinitrobenzoyl)oxy)imino)-3-methylcyclohexa-2,5-dienone
Property Insights of (Z)-4-(((3,5-dinitrobenzoyl)oxy)imino)-3-methylcyclohexa-2,5-dienone
The XLogP value of 2.101 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-4-(((3,5-dinitrobenzoyl)oxy)imino)-3-methylcyclohexa-2,5-dienone. The TPSA of 142.01 Ų indicates high polarity, suggesting (Z)-4-(((3,5-dinitrobenzoyl)oxy)imino)-3-methylcyclohexa-2,5-dienone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (Z)-4-(((3,5-dinitrobenzoyl)oxy)imino)-3-methylcyclohexa-2,5-dienone 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 (Z)-4-(((3,5-dinitrobenzoyl)oxy)imino)-3-methylcyclohexa-2,5-dienone?
The CAS number of (Z)-4-(((3,5-dinitrobenzoyl)oxy)imino)-3-methylcyclohexa-2,5-dienone is 321681-98-5.
What is the molecular formula of (Z)-4-(((3,5-dinitrobenzoyl)oxy)imino)-3-methylcyclohexa-2,5-dienone?
The molecular formula of (Z)-4-(((3,5-dinitrobenzoyl)oxy)imino)-3-methylcyclohexa-2,5-dienone is C14H9N3O7.
What is the molecular weight of (Z)-4-(((3,5-dinitrobenzoyl)oxy)imino)-3-methylcyclohexa-2,5-dienone?
The molecular weight of (Z)-4-(((3,5-dinitrobenzoyl)oxy)imino)-3-methylcyclohexa-2,5-dienone is 331.04 g/mol.
Where can I buy (Z)-4-(((3,5-dinitrobenzoyl)oxy)imino)-3-methylcyclohexa-2,5-dienone?
You can request a quote for (Z)-4-(((3,5-dinitrobenzoyl)oxy)imino)-3-methylcyclohexa-2,5-dienone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-4-(((3,5-dinitrobenzoyl)oxy)imino)-3-methylcyclohexa-2,5-dienone?
Yes, KEHONG BIO provides custom synthesis services for (Z)-4-(((3,5-dinitrobenzoyl)oxy)imino)-3-methylcyclohexa-2,5-dienone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.