![6-{[4-(5-Chloro-1,3-benzoxazol-2-yl)anilino]methylidene}-2,4-dinitrocyclohexa-2,4-dien-1-one structure](/static/products/6814/6814-74-0.webp)
6-{[4-(5-Chloro-1,3-benzoxazol-2-yl)anilino]methylidene}-2,4-dinitrocyclohexa-2,4-dien-1-one
TL;DR: 6-{[4-(5-Chloro-1,3-benzoxazol-2-yl)anilino]methylidene}-2,4-dinitrocyclohexa-2,4-dien-1-one (CAS 6814-74-0) is a chemical compound with molecular formula C20H11ClN4O6 and molecular weight 438.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]iminomethyl]-4,6-dinitrophenol
Also Known As: 6-{[4-(5-Chloro-1,3-benzoxazol-2-yl)anilino]methylidene}-2,4-dinitrocyclohexa-2,4-dien-1-one, (6E)-6-[[4-(5-chloro-1,3-benzoxazol-2-yl)anilino]methylidene]-2,4-dinitrocyclohexa-2,4-dien-1-one, 6-[[[4-(5-chlorobenzooxazol-2-yl)phenyl]amino]methylidene]-2,4-dinitro-cyclohexa-2,4-dien-1-one, 6-[[4-(5-chloro-1,3-benzoxazol-2-yl)anilino]methylidene]-2,4-dinitrocyclohexa-2,4-dien-1-one
| Molecular Formula | C20H11ClN4O6 |
|---|---|
| Molecular Weight | 438.04 g/mol |
| LogP | 5.4208 |
| Topological Polar Surface Area | 144.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 438.0367 |
| Heavy Atoms | 31 |
| Complexity | 1364.3604 |
Chemical Identifiers
| CAS Number | 6814-74-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NC3=C(O2)C=CC(=C3)Cl)N=CC4=C(C(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])O |
Product Overview
6-{[4-(5-Chloro-1,3-benzoxazol-2-yl)anilino]methylidene}-2,4-dinitrocyclohexa-2,4-dien-1-one (CAS 6814-74-0), with molecular formula C20H11ClN4O6 and molecular weight 438.04 g/mol. IUPAC: 2-[[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]iminomethyl]-4,6-dinitrophenol.
Chemical Property Profile of 6-{[4-(5-Chloro-1,3-benzoxazol-2-yl)anilino]methylidene}-2,4-dinitrocyclohexa-2,4-dien-1-one
Property Insights of 6-{[4-(5-Chloro-1,3-benzoxazol-2-yl)anilino]methylidene}-2,4-dinitrocyclohexa-2,4-dien-1-one
The XLogP value of 5.4208 indicates that 6-{[4-(5-Chloro-1,3-benzoxazol-2-yl)anilino]methylidene}-2,4-dinitrocyclohexa-2,4-dien-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 144.9 Ų indicates high polarity, suggesting 6-{[4-(5-Chloro-1,3-benzoxazol-2-yl)anilino]methylidene}-2,4-dinitrocyclohexa-2,4-dien-1-one may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6-{[4-(5-Chloro-1,3-benzoxazol-2-yl)anilino]methylidene}-2,4-dinitrocyclohexa-2,4-dien-1-one has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-{[4-(5-Chloro-1,3-benzoxazol-2-yl)anilino]methylidene}-2,4-dinitrocyclohexa-2,4-dien-1-one?
The CAS number of 6-{[4-(5-Chloro-1,3-benzoxazol-2-yl)anilino]methylidene}-2,4-dinitrocyclohexa-2,4-dien-1-one is 6814-74-0.
What is the molecular formula of 6-{[4-(5-Chloro-1,3-benzoxazol-2-yl)anilino]methylidene}-2,4-dinitrocyclohexa-2,4-dien-1-one?
The molecular formula of 6-{[4-(5-Chloro-1,3-benzoxazol-2-yl)anilino]methylidene}-2,4-dinitrocyclohexa-2,4-dien-1-one is C20H11ClN4O6.
What is the molecular weight of 6-{[4-(5-Chloro-1,3-benzoxazol-2-yl)anilino]methylidene}-2,4-dinitrocyclohexa-2,4-dien-1-one?
The molecular weight of 6-{[4-(5-Chloro-1,3-benzoxazol-2-yl)anilino]methylidene}-2,4-dinitrocyclohexa-2,4-dien-1-one is 438.04 g/mol.
Where can I buy 6-{[4-(5-Chloro-1,3-benzoxazol-2-yl)anilino]methylidene}-2,4-dinitrocyclohexa-2,4-dien-1-one?
You can request a quote for 6-{[4-(5-Chloro-1,3-benzoxazol-2-yl)anilino]methylidene}-2,4-dinitrocyclohexa-2,4-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 6-{[4-(5-Chloro-1,3-benzoxazol-2-yl)anilino]methylidene}-2,4-dinitrocyclohexa-2,4-dien-1-one?
Yes, KEHONG BIO provides custom synthesis services for 6-{[4-(5-Chloro-1,3-benzoxazol-2-yl)anilino]methylidene}-2,4-dinitrocyclohexa-2,4-dien-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.