1,3-Benzenedicarboxaldehyde, 4,6-dinitro-, dioxime, (E,E)-
TL;DR: 1,3-Benzenedicarboxaldehyde, 4,6-dinitro-, dioxime, (E,E)- (CAS 67640-43-1) is a chemical compound with molecular formula C8H6N4O6 and molecular weight 254.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-(hydroxyiminomethyl)-2,4-dinitrophenyl]methylidene]hydroxylamine
Also Known As: 1,3-Benzenedicarboxaldehyde, 4,6-dinitro-, dioxime, (E,E)-, N,N'-[(4,6-Dinitro-1,3-phenylene)dimethanylylidene]dihydroxylamine, N-[[5-(hydroxyiminomethyl)-2,4-dinitrophenyl]methylidene]hydroxylamine
| Molecular Formula | C8H6N4O6 |
|---|---|
| Molecular Weight | 254.03 g/mol |
| LogP | 1.1192 |
| Topological Polar Surface Area | 151.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 254.02873 |
| Heavy Atoms | 18 |
| Complexity | 507.51334 |
Chemical Identifiers
| CAS Number | 67640-43-1 |
|---|---|
| SMILES | C1=C(C(=CC(=C1C=NO)[N+](=O)[O-])[N+](=O)[O-])C=NO |
Product Overview
1,3-Benzenedicarboxaldehyde, 4,6-dinitro-, dioxime, (E,E)- (CAS 67640-43-1), with molecular formula C8H6N4O6 and molecular weight 254.03 g/mol. IUPAC: N-[[5-(hydroxyiminomethyl)-2,4-dinitrophenyl]methylidene]hydroxylamine.
Chemical Property Profile of 1,3-Benzenedicarboxaldehyde, 4,6-dinitro-, dioxime, (E,E)-
Property Insights of 1,3-Benzenedicarboxaldehyde, 4,6-dinitro-, dioxime, (E,E)-
The XLogP value of 1.1192 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzenedicarboxaldehyde, 4,6-dinitro-, dioxime, (E,E)-. The TPSA of 151.46 Ų indicates high polarity, suggesting 1,3-Benzenedicarboxaldehyde, 4,6-dinitro-, dioxime, (E,E)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,3-Benzenedicarboxaldehyde, 4,6-dinitro-, dioxime, (E,E)- has 2 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 1,3-Benzenedicarboxaldehyde, 4,6-dinitro-, dioxime, (E,E)-?
The CAS number of 1,3-Benzenedicarboxaldehyde, 4,6-dinitro-, dioxime, (E,E)- is 67640-43-1.
What is the molecular formula of 1,3-Benzenedicarboxaldehyde, 4,6-dinitro-, dioxime, (E,E)-?
The molecular formula of 1,3-Benzenedicarboxaldehyde, 4,6-dinitro-, dioxime, (E,E)- is C8H6N4O6.
What is the molecular weight of 1,3-Benzenedicarboxaldehyde, 4,6-dinitro-, dioxime, (E,E)-?
The molecular weight of 1,3-Benzenedicarboxaldehyde, 4,6-dinitro-, dioxime, (E,E)- is 254.03 g/mol.
Where can I buy 1,3-Benzenedicarboxaldehyde, 4,6-dinitro-, dioxime, (E,E)-?
You can request a quote for 1,3-Benzenedicarboxaldehyde, 4,6-dinitro-, dioxime, (E,E)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzenedicarboxaldehyde, 4,6-dinitro-, dioxime, (E,E)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzenedicarboxaldehyde, 4,6-dinitro-, dioxime, (E,E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.